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CHEMDIV-ZINC02928516

 MMsINC code: MMs00893125
Type: Neutral
Formula: C24H26N2O3
SMILES:   O(C(=O)c1cc(n(CC(=O)NC(C)c2ccccc2)c1C)-c1ccccc1)CC
InChI:   InChI=1/C24H26N2O3/c1-4-29-24(28)21-15-22(20-13-9-6-10-14-20)26(18(21)3)16-23(27)25-17(2)19-11-7-5-8-12-19/h5-15,17H,4,16H2,1-3H3,(H,25,27)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.98 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -5.4073  SlogP: 4.87952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588287  Sterimol/B1: 2.98042  Sterimol/B2: 4.15425  Sterimol/B3: 4.89044
  Sterimol/B4: 7.96909  Sterimol/L: 20.0793 
 
 Surface and Volume Properties
  Accessible surface: 707.312  Positive charged surface: 430.176  Negative charged surface: 277.136  Volume: 395.625
  Hydrophobic surface: 602.317  Hydrophilic surface: 104.995
 
 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.