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ASINEX-ZINC00921487

 MMsINC code: MMs00221387
Type: Neutral
Formula: C28H32N4O4
SMILES:   O(C)c1ccc(cc1)C(N(C(=O)c1nccnc1)Cc1ccc(OC)cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C28H32N4O4/c1-35-23-12-8-20(9-13-23)19-32(28(34)25-18-29-16-17-30-25)26(21-10-14-24(36-2)15-11-21)27(33)31-22-6-4-3-5-7-22/h8-18,22,26H,3-7,19H2,1-2H3,(H,31,33)/t26-/m0/s1

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Potential Energy
Epot(MMFF94)=198.064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.588 g/mol  logS: -4.34193  SlogP: 4.6883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.35055  Sterimol/B1: 2.49385  Sterimol/B2: 5.24478  Sterimol/B3: 6.27516
  Sterimol/B4: 10.1298  Sterimol/L: 15.8474 
 
 Surface and Volume Properties
  Accessible surface: 711.263  Positive charged surface: 548.908  Negative charged surface: 162.355  Volume: 468.125
  Hydrophobic surface: 614.239  Hydrophilic surface: 97.024
 
 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.