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PUBCHEM-ZINC06185551

 MMsINC code: MMs03586577
Type: Neutral
Formula: C7H11NO2
SMILES:   OC(=O)C1N(CC1)C1CC1
InChI:   InChI=1/C7H11NO2/c9-7(10)6-3-4-8(6)5-1-2-5/h5-6H,1-4H2,(H,9,10)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=31.7003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.17 g/mol  logS: -0.38726  SlogP: 0.3077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147303  Sterimol/B1: 2.64694  Sterimol/B2: 3.20243  Sterimol/B3: 3.55694
  Sterimol/B4: 3.74258  Sterimol/L: 9.91841 
 
 Surface and Volume Properties
  Accessible surface: 332.471  Positive charged surface: 149.184  Negative charged surface: 84.2735  Volume: 143.125
  Hydrophobic surface: 192.579  Hydrophilic surface: 139.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.