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PUBCHEM-ZINC02903515

 MMsINC code: MMs02956753
Type: Neutral
Formula: C24H21Cl2N3O4
SMILES:   Clc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)c2ccc(N(C)C)cc2)c(cc1)C(OC)=O
InChI:   InChI=1/C24H21Cl2N3O4/c1-29(2)17-8-4-14(5-9-17)22(30)27-20-12-15(6-10-18(20)24(32)33-3)23(31)28-21-13-16(25)7-11-19(21)26/h4-13H,1-3H3,(H,27,30)(H,28,31)

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Potential Energy
Epot(MMFF94)=146.387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.355 g/mol  logS: -7.10258  SlogP: 5.3506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160988  Sterimol/B1: 2.7975  Sterimol/B2: 3.61027  Sterimol/B3: 3.81691
  Sterimol/B4: 11.5812  Sterimol/L: 20.7684 
 
 Surface and Volume Properties
  Accessible surface: 754.713  Positive charged surface: 437.855  Negative charged surface: 316.858  Volume: 428.25
  Hydrophobic surface: 666.938  Hydrophilic surface: 87.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.