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OTAVA-ZINC01943025

 MMsINC code: MMs02572073
Type: Neutral
Formula: C19H20ClNO4
SMILES:   Clc1cccc(NC(=O)c2ccc(OCC(OC(C)C)=O)cc2)c1C
InChI:   InChI=1/C19H20ClNO4/c1-12(2)25-18(22)11-24-15-9-7-14(8-10-15)19(23)21-17-6-4-5-16(20)13(17)3/h4-10,12H,11H2,1-3H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.2679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.825 g/mol  logS: -5.3626  SlogP: 4.23112  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0168686  Sterimol/B1: 2.37649  Sterimol/B2: 2.5802  Sterimol/B3: 3.7827
  Sterimol/B4: 7.24098  Sterimol/L: 20.6895 
 
 Surface and Volume Properties
  Accessible surface: 642.22  Positive charged surface: 354.314  Negative charged surface: 287.906  Volume: 337.625
  Hydrophobic surface: 525.662  Hydrophilic surface: 116.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.