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ASINEX-ZINC00921746

 MMsINC code: MMs00221505
Type: Neutral
Formula: C26H25ClN4O4
SMILES:   Clc1ccc(cc1)C(N(C(=O)c1nccnc1)c1cc2OCOc2cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C26H25ClN4O4/c27-18-8-6-17(7-9-18)24(25(32)30-19-4-2-1-3-5-19)31(26(33)21-15-28-12-13-29-21)20-10-11-22-23(14-20)35-16-34-22/h6-15,19,24H,1-5,16H2,(H,30,32)/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=186.015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.963 g/mol  logS: -4.98652  SlogP: 4.7912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141422  Sterimol/B1: 2.45128  Sterimol/B2: 5.5164  Sterimol/B3: 7.08648
  Sterimol/B4: 9.18345  Sterimol/L: 16.1768 
 
 Surface and Volume Properties
  Accessible surface: 723.032  Positive charged surface: 491.347  Negative charged surface: 231.685  Volume: 443.625
  Hydrophobic surface: 603.53  Hydrophilic surface: 119.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.