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CHEMBRIDGE-ZINC02883447

 MMsINC code: MMs00734867
Type: Neutral
Formula: C24H21ClN2O3
SMILES:   Clc1cc2c(N(CCc3ccccc3)C(=O)C2(O)CC(=O)c2cc(N)ccc2)cc1
InChI:   InChI=1/C24H21ClN2O3/c25-18-9-10-21-20(14-18)24(30,15-22(28)17-7-4-8-19(26)13-17)23(29)27(21)12-11-16-5-2-1-3-6-16/h1-10,13-14,30H,11-12,15,26H2/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=104.594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.896 g/mol  logS: -5.66655  SlogP: 4.28357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510483  Sterimol/B1: 3.11697  Sterimol/B2: 3.20238  Sterimol/B3: 4.8006
  Sterimol/B4: 11.1103  Sterimol/L: 18.1115 
 
 Surface and Volume Properties
  Accessible surface: 684.894  Positive charged surface: 358.477  Negative charged surface: 326.418  Volume: 391.625
  Hydrophobic surface: 553.696  Hydrophilic surface: 131.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.