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CHEMBRIDGE-ZINC03001150

 MMsINC code: MMs00749841
Type: Neutral
Formula: C14H18N2O
SMILES:   O(CCCn1ccnc1)c1cc(ccc1)CC
InChI:   InChI=1/C14H18N2O/c1-2-13-5-3-6-14(11-13)17-10-4-8-16-9-7-15-12-16/h3,5-7,9,11-12H,2,4,8,10H2,1H3

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Potential Energy
Epot(MMFF94)=36.2085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.311 g/mol  logS: -2.91874  SlogP: 3.18097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420654  Sterimol/B1: 2.11759  Sterimol/B2: 2.84544  Sterimol/B3: 4.17927
  Sterimol/B4: 6.16628  Sterimol/L: 16.4878 
 
 Surface and Volume Properties
  Accessible surface: 503.157  Positive charged surface: 363.525  Negative charged surface: 139.632  Volume: 246.75
  Hydrophobic surface: 436.985  Hydrophilic surface: 66.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.