444294
  -OEChem-04251815583D

 27 28  0     1  0  0  0  0  0999 V2000
   -2.5217    0.3747   -0.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690    0.2807   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122    0.5268    0.5653 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5981   -1.2183   -0.5902 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0177   -0.5488    1.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5627   -1.7425    0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -1.1910   -1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3692   -0.0289   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9102    1.0940   -1.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671    0.5229    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232    1.9305    1.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -1.7945   -1.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615   -0.8246    2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.2257    2.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5668   -1.9925    1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0563   -2.6395    0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099   -2.1082   -0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272   -0.9564   -2.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1849    2.1396   -1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766    1.1153   -2.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6143    0.6876   -2.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    0.0303    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399    1.5928    0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441    0.1597   -0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4499    2.2884    1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6167    2.6304    0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    1.9748    1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11345

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DSSYKIVIOFKYAU-OIBJUYFYSA-N/SDF?record_type=3d

> <SMILES>
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1

> <INCHI_KEY>
DSSYKIVIOFKYAU-OIBJUYFYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
17.734080197788437

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

> <ALOGPS_LOGP>
2.85

> <JCHEM_LOGP>
2.5529855899999996

> <ALOGPS_LOGS>
-2.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.485708558665737

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
44.492

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.80e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
l-camphor

> <JCHEM_VEBER_RULE>
1

$$$$