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CHEMDIV-ZINC03910059

 MMsINC code: MMs00920721
Type: Neutral
Formula: C24H26N2O2
SMILES:   O=C1N2C(c3c(CC2)cccc3)C(c2c1cccc2)C(=O)N1CC(CCC1)C
InChI:   InChI=1/C24H26N2O2/c1-16-7-6-13-25(15-16)24(28)21-19-10-4-5-11-20(19)23(27)26-14-12-17-8-2-3-9-18(17)22(21)26/h2-5,8-11,16,21-22H,6-7,12-15H2,1H3/t16-,21-,22+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.07 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -4.45772  SlogP: 3.87737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164442  Sterimol/B1: 2.55776  Sterimol/B2: 5.57593  Sterimol/B3: 5.87543
  Sterimol/B4: 7.60431  Sterimol/L: 13.7264 
 
 Surface and Volume Properties
  Accessible surface: 596.718  Positive charged surface: 379.865  Negative charged surface: 216.854  Volume: 369.625
  Hydrophobic surface: 521.397  Hydrophilic surface: 75.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.