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CHEMBRIDGE-ZINC04978043

 MMsINC code: MMs00816876
Type: Neutral
Formula: C15H24N2
SMILES:   N1(CCN(CC1)CC)Cc1ccc(cc1C)C
InChI:   InChI=1/C15H24N2/c1-4-16-7-9-17(10-8-16)12-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.2301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.371 g/mol  logS: -2.57811  SlogP: 2.70734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116373  Sterimol/B1: 2.23093  Sterimol/B2: 2.93776  Sterimol/B3: 4.28887
  Sterimol/B4: 6.09013  Sterimol/L: 14.9748 
 
 Surface and Volume Properties
  Accessible surface: 496.059  Positive charged surface: 377.223  Negative charged surface: 118.836  Volume: 264.125
  Hydrophobic surface: 465.298  Hydrophilic surface: 30.761
 
 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


MMs00816877
CHEMBRIDGE-ZINC04978043