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ACROSORGANICS-ZINC01558053

 MMsINC code: MMs00009206
Type: Neutral
Formula: C6H11NO2
SMILES:   OC(=O)C1CCCC1N
InChI:   InChI=1/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.6116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: 0.21163  SlogP: 0.1984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21459  Sterimol/B1: 3.0428  Sterimol/B2: 3.18319  Sterimol/B3: 3.28201
  Sterimol/B4: 4.51355  Sterimol/L: 9.1755 
 
 Surface and Volume Properties
  Accessible surface: 304.372  Positive charged surface: 226.992  Negative charged surface: 77.3795  Volume: 127.375
  Hydrophobic surface: 171.068  Hydrophilic surface: 133.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.