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PUBCHEM-ZINC06071395

 MMsINC code: MMs03524234
Type: Neutral
Formula: C14H20N2
SMILES:   [nH]1c2c(cc(cc2)C)cc1C(CN(C)C)C
InChI:   InChI=1/C14H20N2/c1-10-5-6-13-12(7-10)8-14(15-13)11(2)9-16(3)4/h5-8,11,15H,9H2,1-4H3/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.1169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.328 g/mol  logS: -2.43631  SlogP: 3.14142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0728402  Sterimol/B1: 3.19899  Sterimol/B2: 3.45636  Sterimol/B3: 4.36317
  Sterimol/B4: 4.66284  Sterimol/L: 15.2195 
 
 Surface and Volume Properties
  Accessible surface: 480.359  Positive charged surface: 351.819  Negative charged surface: 123.273  Volume: 241.125
  Hydrophobic surface: 446.225  Hydrophilic surface: 34.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03524235
PUBCHEM-ZINC06071395