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CHEMBRIDGE-ZINC00124721

 MMsINC code: MMs00589858
Type: Neutral
Formula: C13H21NO
SMILES:   O=C(N)C12CC3(CC(C1)(CC(C2)C3)C)C
InChI:   InChI=1/C13H21NO/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H2,14,15)/t9-,11+,12-,13-

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Potential Energy
Epot(MMFF94)=46.0242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.317 g/mol  logS: -4.29741  SlogP: 2.4683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.451565  Sterimol/B1: 2.1063  Sterimol/B2: 2.57452  Sterimol/B3: 5.18911
  Sterimol/B4: 7.08511  Sterimol/L: 10.6843 
 
 Surface and Volume Properties
  Accessible surface: 391.649  Positive charged surface: 290.102  Negative charged surface: 101.548  Volume: 214.75
  Hydrophobic surface: 265.288  Hydrophilic surface: 126.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.