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NCID-ZINC01733835

 MMsINC code: MMs02356207
Type: Neutral
Formula: C6H11NO2
SMILES:   OC(=O)C1NC(CC1)C
InChI:   InChI=1/C6H11NO2/c1-4-2-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=20.2362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -0.23291  SlogP: 0.2115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145511  Sterimol/B1: 2.49792  Sterimol/B2: 2.55344  Sterimol/B3: 3.33756
  Sterimol/B4: 4.22462  Sterimol/L: 10.4161 
 
 Surface and Volume Properties
  Accessible surface: 314.173  Positive charged surface: 223.323  Negative charged surface: 90.8501  Volume: 127.5
  Hydrophobic surface: 175.848  Hydrophilic surface: 138.325
 
 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.