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PUBCHEM-ZINC00280493

 MMsINC code: MMs02649999
Type: Neutral
Formula: C15H24N2
SMILES:   N1(CCN(CC1)C)C(CCc1ccccc1)C
InChI:   InChI=1/C15H24N2/c1-14(17-12-10-16(2)11-13-17)8-9-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.5956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.371 g/mol  logS: -1.89351  SlogP: 2.25507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943328  Sterimol/B1: 2.27558  Sterimol/B2: 2.38336  Sterimol/B3: 4.52723
  Sterimol/B4: 6.96188  Sterimol/L: 15.1181 
 
 Surface and Volume Properties
  Accessible surface: 497.167  Positive charged surface: 375.807  Negative charged surface: 121.361  Volume: 264.125
  Hydrophobic surface: 476.423  Hydrophilic surface: 20.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02650000
PUBCHEM-ZINC00280493