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CHEMDIV-ZINC05143074

 MMsINC code: MMs00991677
Type: Neutral
Formula: C24H26N2O2
SMILES:   O=C(c1ccccc1C)c1n(ccc1)CC(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C24H26N2O2/c1-18-9-6-7-12-21(18)24(28)22-13-8-16-26(22)17-23(27)25-19(2)14-15-20-10-4-3-5-11-20/h3-13,16,19H,14-15,17H2,1-2H3,(H,25,27)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.1697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -4.95268  SlogP: 4.43139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112751  Sterimol/B1: 2.37943  Sterimol/B2: 4.8283  Sterimol/B3: 6.143
  Sterimol/B4: 6.48606  Sterimol/L: 17.0211 
 
 Surface and Volume Properties
  Accessible surface: 685.08  Positive charged surface: 409.865  Negative charged surface: 275.215  Volume: 388
  Hydrophobic surface: 607.484  Hydrophilic surface: 77.596
 
 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.