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PUBCHEM-ZINC05839979

 MMsINC code: MMs03410196
Type: Neutral
Formula: C6H10NO2-
SMILES:   OC(=O)C1([NH-])CCCC1
InChI:   InChI=1/C6H10NO2/c7-6(5(8)9)3-1-2-4-6/h7H,1-4H2,(H,8,9)/q-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.5913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.151 g/mol  logS: -0.25805  SlogP: 0.6667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25587  Sterimol/B1: 2.65426  Sterimol/B2: 2.9403  Sterimol/B3: 3.92797
  Sterimol/B4: 4.29715  Sterimol/L: 9.09403 
 
 Surface and Volume Properties
  Accessible surface: 299.515  Positive charged surface: 197.274  Negative charged surface: 102.241  Volume: 125.375
  Hydrophobic surface: 173.028  Hydrophilic surface: 126.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 1  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.