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PUBCHEM-ZINC05651189

 MMsINC code: MMs03337468
Type: Neutral
Formula: C15H20N2
SMILES:   [nH]1cc(c2c1cccc2)C1N(C)C(CC1)CC
InChI:   InChI=1/C15H20N2/c1-3-11-8-9-15(17(11)2)13-10-16-14-7-5-4-6-12(13)14/h4-7,10-11,15-16H,3,8-9H2,1-2H3/t11-,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.7851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.339 g/mol  logS: -2.62759  SlogP: 3.8087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135862  Sterimol/B1: 3.35336  Sterimol/B2: 3.5187  Sterimol/B3: 4.72179
  Sterimol/B4: 4.82998  Sterimol/L: 14.1286 
 
 Surface and Volume Properties
  Accessible surface: 461.152  Positive charged surface: 319.495  Negative charged surface: 137.55  Volume: 248.875
  Hydrophobic surface: 399.019  Hydrophilic surface: 62.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03337469
PUBCHEM-ZINC05651189