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PUBCHEM-ZINC00246673

 MMsINC code: MMs02645215
Type: Neutral
Formula: C15H19ClN2O
SMILES:   ClC12CC3(CC(C1)CC(C3)C2)C(=O)n1ccnc1C
InChI:   InChI=1/C15H19ClN2O/c1-10-17-2-3-18(10)13(19)14-5-11-4-12(6-14)8-15(16,7-11)9-14/h2-3,11-12H,4-9H2,1H3/t11-,12+,14+,15-

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Potential Energy
Epot(MMFF94)=81.0118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.783 g/mol  logS: -2.78228  SlogP: 3.82942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187439  Sterimol/B1: 2.52944  Sterimol/B2: 3.81275  Sterimol/B3: 4.54864
  Sterimol/B4: 5.99267  Sterimol/L: 12.1153 
 
 Surface and Volume Properties
  Accessible surface: 454.341  Positive charged surface: 300.044  Negative charged surface: 154.297  Volume: 256.75
  Hydrophobic surface: 352.798  Hydrophilic surface: 101.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.