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AURORAFEINCHEMIE-ZINC06664471

 MMsINC code: MMs00477420
Type: Neutral
Formula: C25H25NO2
SMILES:   OC=1C=2C3CCC(C=2N(C(=O)C=1c1ccccc1)c1ccccc1)(C)C3(C)C
InChI:   InChI=1/C25H25NO2/c1-24(2)18-14-15-25(24,3)22-20(18)21(27)19(16-10-6-4-7-11-16)23(28)26(22)17-12-8-5-9-13-17/h4-13,18,27H,14-15H2,1-3H3/t18-,25+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=167.046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.48 g/mol  logS: -6.12978  SlogP: 5.7127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177726  Sterimol/B1: 2.03467  Sterimol/B2: 3.41183  Sterimol/B3: 6.00649
  Sterimol/B4: 8.68833  Sterimol/L: 14.6053 
 
 Surface and Volume Properties
  Accessible surface: 598.636  Positive charged surface: 363.057  Negative charged surface: 235.579  Volume: 371.375
  Hydrophobic surface: 503.687  Hydrophilic surface: 94.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.