Mrv1718001171817252D          

  9  8  0  0  0  0            999 V2000
    1.4289    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13972

> <DATABASE_NAME>
drugbank

> <SMILES>
CSCCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

> <INCHI_KEY>
FFEARJCKVFRZRR-UHFFFAOYSA-N

> <FORMULA>
C5H11NO2S

> <MOLECULAR_WEIGHT>
149.211

> <EXACT_MASS>
149.051049291

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
15.612040828997436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-(methylsulfanyl)butanoic acid

> <ALOGPS_LOGP>
-1.85

> <JCHEM_LOGP>
-2.189326616871282

> <ALOGPS_LOGS>
-0.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5319210041042344

> <JCHEM_PKA_STRONGEST_BASIC>
9.502323343916569

> <JCHEM_POLAR_SURFACE_AREA>
63.32000000000001

> <JCHEM_REFRACTIVITY>
37.586

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.39e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methionine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13972

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Racemethionine

> <SYNONYMS>
(+-)-Methionine; DL-Methionine; DL-Methioninum; metionina; Racemethionine

> <PRODUCTS>
24 Multivitamins + Minerals; 50 Plus; 8.5% Freamine III; A/o-26 - Caplet; Amino-cerv; Body Tropics Plus Tab; C. Vit-min Formula; Card-floe II Tab; Children's Chewable Tab; Choline Inositol Methionine; Classic Swiss One 10 Multivitamin and Mineral Tab; Complete One A Day Tab; Complete One-A-day - Tab; Defense Caplets; Deriton; E Plex 1000 Mega Strength; E Plex 200 Regular Strength; E Plex 400 Extra Strength; E Plex 600 Ultra Strength; Extra Once A Day; Formula Gly; Formula Hh; Hi Potency Multi Tab; Hyporyl - Tab; L.C. Supplement; Lip - Fac Formula; Lipo Factors Plus B6; Lipotrope Tab; Lipotrope-plus B6 Tab; Lipotropic Ctr; Livertal 36; Maintain Multiple Vitamin & Minerals; Master Key Multi Vitamin Multi Mineral Formula 2; Maximum Once A Day; Mega Lipotropic Cap; Multi Flow Tablets; Multi-phyto Capsules; Multivitamine; Multivitamins and Minerals With Betacarotene Tablets; Multivitamins and Minerals for Young Men; Multivitamins and Minerals for Young Women; Multra Plex; Multra With Iron; Natural Source Spectrum With Beta Carotene; Nephramine Liq IV; Nitro Vites - Tab; Only One - Tablet; Prenatal Formula Tab; Proteminal; Super Vita Vim Multivitamins and Minerals; Super Vita-vim With Beta-carotene - Tab; Swiss One Multi Vit & Chel Min Tab; Swiss One Multivitamin and Mineral Caplet; Travasol Inj Without Electrolytes 8.5%; Ultr F/b E.S. Mega Lipotropic Fmla W B6bet; Vege Swiss One Multivitamin W Chel Mins Tab; Vita Balance 2000; Vita Vim Multivitamins and Minerals Tab; Vita Vim With Beta Carotene-caplet; Vita-vim - Tab; Vita-vim With Beta-carotene - Tab; Wellness Formula

$$$$