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OAKWOOD-ZINC04298630

 MMsINC code: MMs02552283
Type: Neutral
Formula: C9H16N2O2
SMILES:   O1CCN(CC1)C(=O)C1NCCC1
InChI:   InChI=1/C9H16N2O2/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=53.5196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.239 g/mol  logS: -0.26792  SlogP: -0.4028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123998  Sterimol/B1: 2.47058  Sterimol/B2: 3.40709  Sterimol/B3: 4.18049
  Sterimol/B4: 4.63658  Sterimol/L: 11.7381 
 
 Surface and Volume Properties
  Accessible surface: 375.487  Positive charged surface: 315.41  Negative charged surface: 60.0775  Volume: 183.875
  Hydrophobic surface: 306.295  Hydrophilic surface: 69.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02552284
OAKWOOD-ZINC04298630