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OTAVA-ZINC00950530

 MMsINC code: MMs02557660
Type: Neutral
Formula: C24H17ClN2O5
SMILES:   Clc1ccccc1N1C(=O)c2c(ccc(c2)C(OCC(=O)Nc2ccc(cc2)C)=O)C1=O
InChI:   InChI=1/C24H17ClN2O5/c1-14-6-9-16(10-7-14)26-21(28)13-32-24(31)15-8-11-17-18(12-15)23(30)27(22(17)29)20-5-3-2-4-19(20)25/h2-12H,13H2,1H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=129.658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.862 g/mol  logS: -7.34496  SlogP: 4.24452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175507  Sterimol/B1: 2.53288  Sterimol/B2: 3.70329  Sterimol/B3: 4.56708
  Sterimol/B4: 6.18918  Sterimol/L: 24.0884 
 
 Surface and Volume Properties
  Accessible surface: 732.127  Positive charged surface: 368.824  Negative charged surface: 363.302  Volume: 395.625
  Hydrophobic surface: 578.592  Hydrophilic surface: 153.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.