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COMGENEX-ZINC00327699

 MMsINC code: MMs01123564
Type: Neutral
Formula: C14H18N2O3
SMILES:   o1cc(cc1)C(=O)N1CC(CCC1)C(=O)NC1CC1
InChI:   InChI=1/C14H18N2O3/c17-13(15-12-3-4-12)10-2-1-6-16(8-10)14(18)11-5-7-19-9-11/h5,7,9-10,12H,1-4,6,8H2,(H,15,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=47.1591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.309 g/mol  logS: -2.05748  SlogP: 1.4104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581727  Sterimol/B1: 2.41642  Sterimol/B2: 3.75934  Sterimol/B3: 3.86449
  Sterimol/B4: 4.97845  Sterimol/L: 15.8977 
 
 Surface and Volume Properties
  Accessible surface: 496.936  Positive charged surface: 300.538  Negative charged surface: 196.398  Volume: 254.5
  Hydrophobic surface: 366.63  Hydrophilic surface: 130.306
 
 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.