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CHEMDIV-ZINC00217141

 MMsINC code: MMs00842121
Type: Neutral
Formula: C23H24N2O
SMILES:   O=C(NC1CCCCC1C)c1cc(nc2c1cccc2)-c1ccccc1
InChI:   InChI=1/C23H24N2O/c1-16-9-5-7-13-20(16)25-23(26)19-15-22(17-10-3-2-4-11-17)24-21-14-8-6-12-18(19)21/h2-4,6,8,10-12,14-16,20H,5,7,9,13H2,1H3,(H,25,26)/t16-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.4709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -6.18764  SlogP: 5.2103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104984  Sterimol/B1: 2.17734  Sterimol/B2: 6.04115  Sterimol/B3: 6.70393
  Sterimol/B4: 7.93076  Sterimol/L: 14.1027 
 
 Surface and Volume Properties
  Accessible surface: 620.695  Positive charged surface: 369.934  Negative charged surface: 238.413  Volume: 354.375
  Hydrophobic surface: 560.852  Hydrophilic surface: 59.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.