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CHEMBRIDGE-ZINC03003480

 MMsINC code: MMs00751413
Type: Neutral
Formula: C14H24N2O
SMILES:   O(CCCCNCCN)c1cc(ccc1)CC
InChI:   InChI=1/C14H24N2O/c1-2-13-6-5-7-14(12-13)17-11-4-3-9-16-10-8-15/h5-7,12,16H,2-4,8-11,15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.359 g/mol  logS: -2.28624  SlogP: 1.95627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186665  Sterimol/B1: 2.12166  Sterimol/B2: 2.1447  Sterimol/B3: 3.58251
  Sterimol/B4: 5.94467  Sterimol/L: 19.6488 
 
 Surface and Volume Properties
  Accessible surface: 552.669  Positive charged surface: 426.096  Negative charged surface: 126.572  Volume: 264.25
  Hydrophobic surface: 436.557  Hydrophilic surface: 116.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00751414
CHEMBRIDGE-ZINC03003480