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ASINEX-ZINC00921866

 MMsINC code: MMs00221607
Type: Neutral
Formula: C30H34N4O4
SMILES:   O1c2cc(ccc2OC1)CN(C(C(=O)NC1CCCCC1)c1ccc(cc1)C(C)C)C(=O)c1nc
cnc1
InChI:   InChI=1/C30H34N4O4/c1-20(2)22-9-11-23(12-10-22)28(29(35)33-24-6-4-3-5-7-24)34(30(36)25-17-31-14-15-32-25)18-21-8-13-26-27(16-21)38-19-37-26/h8-17,20,24,28H,3-7,18-19H2,1-2H3,(H,33,35)/t28-/m1/s1

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Potential Energy
Epot(MMFF94)=225.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 514.626 g/mol  logS: -5.70063  SlogP: 5.5232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178731  Sterimol/B1: 2.41696  Sterimol/B2: 3.69854  Sterimol/B3: 7.29881
  Sterimol/B4: 9.54357  Sterimol/L: 17.5209 
 
 Surface and Volume Properties
  Accessible surface: 780.938  Positive charged surface: 579.974  Negative charged surface: 200.964  Volume: 495.75
  Hydrophobic surface: 632.424  Hydrophilic surface: 148.514
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.