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CHEMDIV-ZINC06720472

 MMsINC code: MMs00999765
Type: Neutral
Formula: C25H24N2O2
SMILES:   O=C1c2cc(ccc2N(c2c1cccc2)CCCC(=O)NCc1ccccc1)C
InChI:   InChI=1/C25H24N2O2/c1-18-13-14-23-21(16-18)25(29)20-10-5-6-11-22(20)27(23)15-7-12-24(28)26-17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16H,7,12,15,17H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.5881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.479 g/mol  logS: -6.06154  SlogP: 5.04052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025083  Sterimol/B1: 2.30524  Sterimol/B2: 3.00307  Sterimol/B3: 3.63338
  Sterimol/B4: 10.95  Sterimol/L: 19.1846 
 
 Surface and Volume Properties
  Accessible surface: 690.919  Positive charged surface: 418.018  Negative charged surface: 272.901  Volume: 386.375
  Hydrophobic surface: 594.603  Hydrophilic surface: 96.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.