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CHEMDIV-ZINC04971735

 MMsINC code: MMs00976466
Type: Neutral
Formula: C19H14ClN3O3
SMILES:   Clc1cc(N2C3=NC(=O)N(C)C(=O)C3=Cc3c2cccc3)ccc1OC
InChI:   InChI=1/C19H14ClN3O3/c1-22-18(24)13-9-11-5-3-4-6-15(11)23(17(13)21-19(22)25)12-7-8-16(26-2)14(20)10-12/h3-10H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.4076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.792 g/mol  logS: -5.48078  SlogP: 3.8742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803489  Sterimol/B1: 2.38265  Sterimol/B2: 3.30306  Sterimol/B3: 5.29574
  Sterimol/B4: 10.4518  Sterimol/L: 14.857 
 
 Surface and Volume Properties
  Accessible surface: 578.904  Positive charged surface: 345.011  Negative charged surface: 233.893  Volume: 320.375
  Hydrophobic surface: 481.848  Hydrophilic surface: 97.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.