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CHEMBRIDGE-ZINC04819386

 MMsINC code: MMs00791412
Type: Neutral
Formula: C23H24ClNO2
SMILES:   Clc1ccccc1OCC(O)CN(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C23H24ClNO2/c24-22-13-7-8-14-23(22)27-18-21(26)17-25(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21,26H,15-18H2/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.903 g/mol  logS: -5.4007  SlogP: 5.3149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676602  Sterimol/B1: 3.03054  Sterimol/B2: 3.89735  Sterimol/B3: 4.35665
  Sterimol/B4: 9.81189  Sterimol/L: 17.8117 
 
 Surface and Volume Properties
  Accessible surface: 662.946  Positive charged surface: 360.467  Negative charged surface: 302.479  Volume: 375.25
  Hydrophobic surface: 619.395  Hydrophilic surface: 43.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00791413
CHEMBRIDGE-ZINC04819386