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NCID-ZINC05882618

 MMsINC code: MMs02509000
Type: Neutral
Formula: C23H20N2O2
SMILES:   O=C1N(C(=O)C2C1C1C(CCC1)c1c2[nH]c2c1cccc2)c1ccccc1
InChI:   InChI=1/C23H20N2O2/c26-22-19-15-11-6-10-14(15)18-16-9-4-5-12-17(16)24-21(18)20(19)23(27)25(22)13-7-2-1-3-8-13/h1-5,7-9,12,14-15,19-20,24H,6,10-11H2/t14-,15-,19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.2979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.425 g/mol  logS: -5.74962  SlogP: 4.3384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181781  Sterimol/B1: 2.35825  Sterimol/B2: 3.66534  Sterimol/B3: 5.82664
  Sterimol/B4: 7.37622  Sterimol/L: 14.782 
 
 Surface and Volume Properties
  Accessible surface: 580.896  Positive charged surface: 345.691  Negative charged surface: 230.485  Volume: 340.625
  Hydrophobic surface: 507.328  Hydrophilic surface: 73.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.