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IBS-ZINC00635346

MMsINC code: MMs01756108

Type: Neutral
Formula: C18H16Cl2N2O2
SMILES:   Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(cc2)C)cc(Cl)c1
InChI:   InChI=1/C18H16Cl2N2O2/c1-11-2-4-16(5-3-11)22-10-12(6-17(22)23)18(24)21-15-8-13(19)7-14(20)9-15/h2-5,7-9,12H,6,10H2,1H3,(H,21,24)/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=65.0243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.244 g/mol  logS: -5.20715  SlogP: 4.29342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0208362  Sterimol/B1: 2.82466  Sterimol/B2: 3.79043  Sterimol/B3: 4.71521
  Sterimol/B4: 5.38809  Sterimol/L: 18.9146 
 
 Surface and Volume Properties
  Accessible surface: 601.798  Positive charged surface: 286.098  Negative charged surface: 315.7  Volume: 319.375
  Hydrophobic surface: 529.198  Hydrophilic surface: 72.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.