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CHEMDIV-ZINC03044649

 MMsINC code: MMs00907346
Type: Neutral
Formula: C23H26N2O2
SMILES:   O=C1N(Cc2ccccc2)C(c2c1cccc2)C(=O)NC1CCC(CC1)C
InChI:   InChI=1/C23H26N2O2/c1-16-11-13-18(14-12-16)24-22(26)21-19-9-5-6-10-20(19)23(27)25(21)15-17-7-3-2-4-8-17/h2-10,16,18,21H,11-15H2,1H3,(H,24,26)/t16-,18+,21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.8547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -5.47425  SlogP: 4.4405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130277  Sterimol/B1: 2.19309  Sterimol/B2: 4.82621  Sterimol/B3: 5.56549
  Sterimol/B4: 7.43525  Sterimol/L: 15.8289 
 
 Surface and Volume Properties
  Accessible surface: 620.244  Positive charged surface: 390.729  Negative charged surface: 229.515  Volume: 365.375
  Hydrophobic surface: 542.46  Hydrophilic surface: 77.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.