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CHEMSTAR-ZINC04112948

 MMsINC code: MMs01105657
Type: Neutral
Formula: C25H17ClN2O5
SMILES:   Clc1ccc(cc1)C(=O)COC(=O)c1ccc(NC(=O)C2=CC(=O)Nc3c2cccc3)cc1
InChI:   InChI=1/C25H17ClN2O5/c26-17-9-5-15(6-10-17)22(29)14-33-25(32)16-7-11-18(12-8-16)27-24(31)20-13-23(30)28-21-4-2-1-3-19(20)21/h1-13H,14H2,(H,27,31)(H,28,30)

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Potential Energy
Epot(MMFF94)=119.039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.873 g/mol  logS: -7.43648  SlogP: 4.3539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00692439  Sterimol/B1: 2.097  Sterimol/B2: 2.44228  Sterimol/B3: 3.47734
  Sterimol/B4: 8.34894  Sterimol/L: 23.8701 
 
 Surface and Volume Properties
  Accessible surface: 729.315  Positive charged surface: 350.671  Negative charged surface: 378.644  Volume: 405.375
  Hydrophobic surface: 553.535  Hydrophilic surface: 175.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.