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NCID-ZINC05368395

 MMsINC code: MMs02454769
Type: Neutral
Formula: C23H26N2O2
SMILES:   O=C(NCc1ccccc1)C1C2CC(CC2)C1C(=O)NCc1ccccc1
InChI:   InChI=1/C23H26N2O2/c26-22(24-14-16-7-3-1-4-8-16)20-18-11-12-19(13-18)21(20)23(27)25-15-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2,(H,24,26)(H,25,27)/t18-,19+,20-,21+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -4.98044  SlogP: 3.8143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119761  Sterimol/B1: 3.10026  Sterimol/B2: 3.12442  Sterimol/B3: 4.15701
  Sterimol/B4: 8.93466  Sterimol/L: 13.9224 
 
 Surface and Volume Properties
  Accessible surface: 596.415  Positive charged surface: 400.397  Negative charged surface: 196.018  Volume: 363
  Hydrophobic surface: 547.452  Hydrophilic surface: 48.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.