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CHEMBRIDGE-ZINC02932468

 MMsINC code: MMs00742269
Type: Neutral
Formula: C14H21Cl2NO
SMILES:   Clc1ccc(Cl)cc1OCCCCN(CC)CC
InChI:   InChI=1/C14H21Cl2NO/c1-3-17(4-2)9-5-6-10-18-14-11-12(15)7-8-13(14)16/h7-8,11H,3-6,9-10H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.7718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.234 g/mol  logS: -3.85969  SlogP: 4.4942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429149  Sterimol/B1: 2.42646  Sterimol/B2: 3.04751  Sterimol/B3: 4.48846
  Sterimol/B4: 6.72413  Sterimol/L: 15.9325 
 
 Surface and Volume Properties
  Accessible surface: 561.443  Positive charged surface: 326.245  Negative charged surface: 235.198  Volume: 283.5
  Hydrophobic surface: 514.734  Hydrophilic surface: 46.709
 
 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


MMs00742270
CHEMBRIDGE-ZINC02932468