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ASINEX-ZINC04852546

 MMsINC code: MMs00382544
Type: Neutral
Formula: C24H25NO2
SMILES:   o1cccc1CNC(=O)C1(CC(c2c(cccc2)C1c1ccccc1)C)C
InChI:   InChI=1/C24H25NO2/c1-17-15-24(2,23(26)25-16-19-11-8-14-27-19)22(18-9-4-3-5-10-18)21-13-7-6-12-20(17)21/h3-14,17,22H,15-16H2,1-2H3,(H,25,26)/t17-,22-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.469 g/mol  logS: -5.92697  SlogP: 5.5078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215394  Sterimol/B1: 3.24095  Sterimol/B2: 4.19722  Sterimol/B3: 4.9046
  Sterimol/B4: 8.70668  Sterimol/L: 15.1076 
 
 Surface and Volume Properties
  Accessible surface: 595.832  Positive charged surface: 355.663  Negative charged surface: 240.169  Volume: 360
  Hydrophobic surface: 549.455  Hydrophilic surface: 46.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.