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CHEMBRIDGE-ZINC00441297

 MMsINC code: MMs00616129
Type: Neutral
Formula: C19H21ClN2O
SMILES:   Clc1cc(ccc1)C(=O)N1CCN(CC1)Cc1cc(ccc1)C
InChI:   InChI=1/C19H21ClN2O/c1-15-4-2-5-16(12-15)14-21-8-10-22(11-9-21)19(23)17-6-3-7-18(20)13-17/h2-7,12-13H,8-11,14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.9647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.843 g/mol  logS: -4.44786  SlogP: 3.87282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0947935  Sterimol/B1: 2.4251  Sterimol/B2: 2.43209  Sterimol/B3: 5.26112
  Sterimol/B4: 8.13373  Sterimol/L: 14.6575 
 
 Surface and Volume Properties
  Accessible surface: 587.241  Positive charged surface: 348.182  Negative charged surface: 239.059  Volume: 323.5
  Hydrophobic surface: 547.425  Hydrophilic surface: 39.816
 
 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


MMs00616130
CHEMBRIDGE-ZINC00441297