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ASINEX-ZINC00921371

 MMsINC code: MMs00221304
Type: Neutral
Formula: C28H32N4O3
SMILES:   O(CC)c1ccc(cc1)C(N(C(=O)c1nccnc1)c1ccc(cc1)C)C(=O)NC1CCCCC1
InChI:   InChI=1/C28H32N4O3/c1-3-35-24-15-11-21(12-16-24)26(27(33)31-22-7-5-4-6-8-22)32(23-13-9-20(2)10-14-23)28(34)25-19-29-17-18-30-25/h9-19,22,26H,3-8H2,1-2H3,(H,31,33)/t26-/m1/s1

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Potential Energy
Epot(MMFF94)=183.666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.589 g/mol  logS: -5.14864  SlogP: 5.11622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27188  Sterimol/B1: 1.969  Sterimol/B2: 4.77588  Sterimol/B3: 6.21032
  Sterimol/B4: 13.0761  Sterimol/L: 16.4328 
 
 Surface and Volume Properties
  Accessible surface: 763.917  Positive charged surface: 581.871  Negative charged surface: 182.045  Volume: 465.75
  Hydrophobic surface: 664.373  Hydrophilic surface: 99.544
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.