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CHEMDIV-ZINC02724124

 MMsINC code: MMs00886858
Type: Neutral
Formula: C25H24N2O3
SMILES:   O(CC)c1ccccc1C(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1
InChI:   InChI=1/C25H24N2O3/c1-3-30-22-12-8-7-11-19(22)25(29)27-16-23(28)26-21-14-13-17(2)15-20(21)24(27)18-9-5-4-6-10-18/h4-15,24H,3,16H2,1-2H3,(H,26,28)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.15 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -6.16326  SlogP: 4.67312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272849  Sterimol/B1: 5.06961  Sterimol/B2: 5.33748  Sterimol/B3: 5.55555
  Sterimol/B4: 6.72244  Sterimol/L: 14.9779 
 
 Surface and Volume Properties
  Accessible surface: 648.842  Positive charged surface: 384.628  Negative charged surface: 264.214  Volume: 389
  Hydrophobic surface: 531.494  Hydrophilic surface: 117.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.