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CHEMBRIDGE-ZINC00694979

 MMsINC code: MMs00640892
Type: Neutral
Formula: C18H14Cl2N4O2
SMILES:   Clc1cc(Cl)ccc1Cn1nc(cc1)C(=O)N\N=C\c1ccccc1O
InChI:   InChI=1/C18H14Cl2N4O2/c19-14-6-5-13(15(20)9-14)11-24-8-7-16(23-24)18(26)22-21-10-12-3-1-2-4-17(12)25/h1-10,25H,11H2,(H,22,26)/b21-10+

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Potential Energy
Epot(MMFF94)=104.702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.242 g/mol  logS: -4.89565  SlogP: 3.9741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481549  Sterimol/B1: 3.38959  Sterimol/B2: 4.35668  Sterimol/B3: 4.6854
  Sterimol/B4: 7.37968  Sterimol/L: 17.3025 
 
 Surface and Volume Properties
  Accessible surface: 640.823  Positive charged surface: 320.927  Negative charged surface: 319.896  Volume: 337.375
  Hydrophobic surface: 494.82  Hydrophilic surface: 146.003
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.