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ENAMINE-ZINC05256981

 MMsINC code: MMs01602442
Type: Neutral
Formula: C24H27N2O2P
SMILES:   P(C(=O)Nc1ccccc1)(C(=O)Nc1ccccc1)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C24H27N2O2P/c27-22(25-20-7-3-1-4-8-20)29(23(28)26-21-9-5-2-6-10-21)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-10,17-19H,11-16H2,(H,25,27)(H,26,28)/t17-,18+,19-,24-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.466 g/mol  logS: -6.183  SlogP: 6.9013  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.238496  Sterimol/B1: 2.28107  Sterimol/B2: 3.4554  Sterimol/B3: 5.35676
  Sterimol/B4: 11.3368  Sterimol/L: 12.6494 
 
 Surface and Volume Properties
  Accessible surface: 620.139  Positive charged surface: 363.732  Negative charged surface: 256.408  Volume: 386.625
  Hydrophobic surface: 556.827  Hydrophilic surface: 63.312
 
 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.