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NCID-ZINC04705766

 MMsINC code: MMs02394415
Type: Neutral
Formula: C9H14N2O2
SMILES:   O=C(N)C1C2CC(CC2)C1C(=O)N
InChI:   InChI=1/C9H14N2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h4-7H,1-3H2,(H2,10,12)(H2,11,13)/t4-,5+,6+,7-

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Potential Energy
Epot(MMFF94)=33.9915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.223 g/mol  logS: -1.65662  SlogP: -0.3807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.285122  Sterimol/B1: 2.48582  Sterimol/B2: 2.90823  Sterimol/B3: 4.23321
  Sterimol/B4: 4.41866  Sterimol/L: 9.35805 
 
 Surface and Volume Properties
  Accessible surface: 350.197  Positive charged surface: 256.096  Negative charged surface: 94.1002  Volume: 170.625
  Hydrophobic surface: 185.28  Hydrophilic surface: 164.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.