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ASINEX-ZINC00921415

 MMsINC code: MMs00221341
Type: Neutral
Formula: C26H28N4O3
SMILES:   O(C)c1ccc(cc1)C(N(C(=O)c1nccnc1)c1ccccc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C26H28N4O3/c1-33-22-14-12-19(13-15-22)24(25(31)29-20-8-4-2-5-9-20)30(21-10-6-3-7-11-21)26(32)23-18-27-16-17-28-23/h3,6-7,10-18,20,24H,2,4-5,8-9H2,1H3,(H,29,31)/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=187.73 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.535 g/mol  logS: -4.34751  SlogP: 4.4177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12172  Sterimol/B1: 2.55798  Sterimol/B2: 3.5957  Sterimol/B3: 5.32762
  Sterimol/B4: 12.8342  Sterimol/L: 15.5439 
 
 Surface and Volume Properties
  Accessible surface: 701.874  Positive charged surface: 543.767  Negative charged surface: 158.107  Volume: 431.25
  Hydrophobic surface: 628.594  Hydrophilic surface: 73.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.