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NCID-ZINC01582024

 MMsINC code: MMs02239201
Type: Neutral
Formula: C9H14N2O2
SMILES:   O=C1NC(CC1)C(=O)N1CCCC1
InChI:   InChI=1/C9H14N2O2/c12-8-4-3-7(10-8)9(13)11-5-1-2-6-11/h7H,1-6H2,(H,10,12)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=30.0526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.223 g/mol  logS: -0.6146  SlogP: -0.1126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132042  Sterimol/B1: 2.44001  Sterimol/B2: 3.30271  Sterimol/B3: 3.30714
  Sterimol/B4: 4.72788  Sterimol/L: 11.8789 
 
 Surface and Volume Properties
  Accessible surface: 379.37  Positive charged surface: 279.375  Negative charged surface: 99.9956  Volume: 177.625
  Hydrophobic surface: 268.279  Hydrophilic surface: 111.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.