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CHEMBRIDGE-ZINC00751842

 MMsINC code: MMs00642697
Type: Neutral
Formula: C24H19ClN4O3
SMILES:   Clc1ccccc1C(=O)Nc1n(ncc1C(=O)Nc1ccccc1OC)-c1ccccc1
InChI:   InChI=1/C24H19ClN4O3/c1-32-21-14-8-7-13-20(21)27-24(31)18-15-26-29(16-9-3-2-4-10-16)22(18)28-23(30)17-11-5-6-12-19(17)25/h2-15H,1H3,(H,27,31)(H,28,30)

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Potential Energy
Epot(MMFF94)=168.757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.894 g/mol  logS: -6.5747  SlogP: 5.0389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521578  Sterimol/B1: 3.50304  Sterimol/B2: 4.14975  Sterimol/B3: 4.40937
  Sterimol/B4: 8.82122  Sterimol/L: 17.1458 
 
 Surface and Volume Properties
  Accessible surface: 696.74  Positive charged surface: 402.876  Negative charged surface: 293.864  Volume: 407.375
  Hydrophobic surface: 636.409  Hydrophilic surface: 60.331
 
 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.