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IBS-ZINC02208806

 MMsINC code: MMs01803410
Type: Neutral
Formula: C30H30N2O2
SMILES:   OC(C(=O)N(Nc1ccc(cc1)C)c1ccc(cc1)C)(c1cc(ccc1)C)c1cc(ccc1)C
InChI:   InChI=1/C30H30N2O2/c1-21-11-15-27(16-12-21)31-32(28-17-13-22(2)14-18-28)29(33)30(34,25-9-5-7-23(3)19-25)26-10-6-8-24(4)20-26/h5-20,31,34H,1-4H3

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Potential Energy
Epot(MMFF94)=184.958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.582 g/mol  logS: -8.23107  SlogP: 6.52798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.320023  Sterimol/B1: 2.31993  Sterimol/B2: 4.1127  Sterimol/B3: 6.76555
  Sterimol/B4: 11.3863  Sterimol/L: 15.7709 
 
 Surface and Volume Properties
  Accessible surface: 732.536  Positive charged surface: 450.989  Negative charged surface: 281.547  Volume: 464.75
  Hydrophobic surface: 695.651  Hydrophilic surface: 36.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.