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ENAMINE-ZINC03250398

 MMsINC code: MMs01330346
Type: Neutral
Formula: C25H23NO4
SMILES:   O1c2c(cccc2)C(c2c1cccc2)C(OC(C(=O)Nc1ccc(cc1)CC)C)=O
InChI:   InChI=1/C25H23NO4/c1-3-17-12-14-18(15-13-17)26-24(27)16(2)29-25(28)23-19-8-4-6-10-21(19)30-22-11-7-5-9-20(22)23/h4-16,23H,3H2,1-2H3,(H,26,27)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.462 g/mol  logS: -7.33227  SlogP: 5.05697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531651  Sterimol/B1: 3.31573  Sterimol/B2: 4.19883  Sterimol/B3: 5.06785
  Sterimol/B4: 6.53368  Sterimol/L: 20.4802 
 
 Surface and Volume Properties
  Accessible surface: 698.321  Positive charged surface: 418.573  Negative charged surface: 279.748  Volume: 389.75
  Hydrophobic surface: 604.07  Hydrophilic surface: 94.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.