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ASINEX-ZINC02369365

 MMsINC code: MMs00270356
Type: Neutral
Formula: C20H18Cl2N4O2
SMILES:   Clc1cc(Cl)ccc1C(=O)Nc1ccccc1C(=O)NCCCn1ccnc1
InChI:   InChI=1/C20H18Cl2N4O2/c21-14-6-7-15(17(22)12-14)20(28)25-18-5-2-1-4-16(18)19(27)24-8-3-10-26-11-9-23-13-26/h1-2,4-7,9,11-13H,3,8,10H2,(H,24,27)(H,25,28)

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Potential Energy
Epot(MMFF94)=83.5595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.296 g/mol  logS: -5.46392  SlogP: 4.5287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.024478  Sterimol/B1: 2.44613  Sterimol/B2: 3.25127  Sterimol/B3: 3.95234
  Sterimol/B4: 11.0118  Sterimol/L: 19.6153 
 
 Surface and Volume Properties
  Accessible surface: 683.203  Positive charged surface: 379.893  Negative charged surface: 303.31  Volume: 368.125
  Hydrophobic surface: 595.504  Hydrophilic surface: 87.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.