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ASINEX-ZINC00992655

 MMsINC code: MMs00227518
Type: Neutral
Formula: C23H23ClN4O2
SMILES:   Clc1ccccc1C(=O)Nc1n(ncc1C(=O)N1CCCCCC1)-c1ccccc1
InChI:   InChI=1/C23H23ClN4O2/c24-20-13-7-6-12-18(20)22(29)26-21-19(23(30)27-14-8-1-2-9-15-27)16-25-28(21)17-10-4-3-5-11-17/h3-7,10-13,16H,1-2,8-9,14-15H2,(H,26,29)

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Potential Energy
Epot(MMFF94)=149.02 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.916 g/mol  logS: -5.55039  SlogP: 4.7942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139641  Sterimol/B1: 3.11475  Sterimol/B2: 4.18207  Sterimol/B3: 4.50299
  Sterimol/B4: 9.65785  Sterimol/L: 14.5948 
 
 Surface and Volume Properties
  Accessible surface: 643.331  Positive charged surface: 381.452  Negative charged surface: 261.879  Volume: 391.625
  Hydrophobic surface: 593.724  Hydrophilic surface: 49.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.