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OTAVA-ZINC00954902

 MMsINC code: MMs02558031
Type: Neutral
Formula: C24H23ClN2O4
SMILES:   Clc1cc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)ccc1OC
InChI:   InChI=1/C24H23ClN2O4/c1-15-5-4-6-21(16(15)2)27-23(28)14-31-19-10-7-17(8-11-19)24(29)26-18-9-12-22(30-3)20(25)13-18/h4-13H,14H2,1-3H3,(H,26,29)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.911 g/mol  logS: -6.82074  SlogP: 5.23524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00599862  Sterimol/B1: 2.61797  Sterimol/B2: 2.64777  Sterimol/B3: 2.99314
  Sterimol/B4: 6.68304  Sterimol/L: 24.9194 
 
 Surface and Volume Properties
  Accessible surface: 742.241  Positive charged surface: 428.653  Negative charged surface: 313.588  Volume: 407.25
  Hydrophobic surface: 655.633  Hydrophilic surface: 86.608
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.