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ENAMINE-ZINC03236028

 MMsINC code: MMs01321900
Type: Neutral
Formula: C26H27N2O2P
SMILES:   P1(=O)(Nc2ccc(NC(C)(C)C)cc2)C=C(OC(=C1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H27N2O2P/c1-26(2,3)27-22-14-16-23(17-15-22)28-31(29)18-24(20-10-6-4-7-11-20)30-25(19-31)21-12-8-5-9-13-21/h4-19,27H,1-3H3,(H,28,29)

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Potential Energy
Epot(MMFF94)=190.896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.488 g/mol  logS: -6.10345  SlogP: 6.5442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355421  Sterimol/B1: 3.78452  Sterimol/B2: 3.79586  Sterimol/B3: 6.40915
  Sterimol/B4: 6.86089  Sterimol/L: 19.7242 
 
 Surface and Volume Properties
  Accessible surface: 729.424  Positive charged surface: 404.497  Negative charged surface: 324.926  Volume: 428
  Hydrophobic surface: 593.595  Hydrophilic surface: 135.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.