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CHEMDIV-ZINC02928518

 MMsINC code: MMs00893126
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.1097 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: 0.0589519  Sterimol/B1: 3.05178  Sterimol/B2: 3.26449  Sterimol/B3: 4.64824
  Sterimol/B4: 9.3047  Sterimol/L: 19.6325 
 
 Surface and Volume Properties
  Accessible surface: 706.43  Positive charged surface: 424.434  Negative charged surface: 281.996  Volume: 393.5
  Hydrophobic surface: 602.262  Hydrophilic surface: 104.168
 
 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.