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PUBCHEM-ZINC05140309

 MMsINC code: MMs03212058
Type: Neutral
Formula: C10H15N
SMILES:   Nc1ccc(cc1CC)CC
InChI:   InChI=1/C10H15N/c1-3-8-5-6-10(11)9(4-2)7-8/h5-7H,3-4,11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.4303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -2.77059  SlogP: 2.39354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104656  Sterimol/B1: 2.22686  Sterimol/B2: 2.89668  Sterimol/B3: 3.5615
  Sterimol/B4: 5.36397  Sterimol/L: 10.8016 
 
 Surface and Volume Properties
  Accessible surface: 372.36  Positive charged surface: 251.685  Negative charged surface: 120.675  Volume: 172.875
  Hydrophobic surface: 280.193  Hydrophilic surface: 92.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.