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CHEMBRIDGE-ZINC00626766

 MMsINC code: MMs00636765
Type: Neutral
Formula: C23H16Cl2N2O3
SMILES:   Clc1cc2c3cc(Cl)ccc3n(c2cc1)CC(O)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C23H16Cl2N2O3/c24-13-5-7-20-18(9-13)19-10-14(25)6-8-21(19)26(20)11-15(28)12-27-22(29)16-3-1-2-4-17(16)23(27)30/h1-10,15,28H,11-12H2/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=66.5586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.298 g/mol  logS: -7.0257  SlogP: 5.0248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0944888  Sterimol/B1: 2.51849  Sterimol/B2: 5.37484  Sterimol/B3: 5.73633
  Sterimol/B4: 6.78809  Sterimol/L: 16.5716 
 
 Surface and Volume Properties
  Accessible surface: 667.763  Positive charged surface: 280.775  Negative charged surface: 374.415  Volume: 381.875
  Hydrophobic surface: 577.444  Hydrophilic surface: 90.319
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.