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CHEMDIV-ZINC04711428

 MMsINC code: MMs00943296
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C)c1cc(ccc1OC)CCN1CC(CC1=O)C(=O)NCc1ccc(cc1)CC
InChI:   InChI=1/C24H30N2O4/c1-4-17-5-7-19(8-6-17)15-25-24(28)20-14-23(27)26(16-20)12-11-18-9-10-21(29-2)22(13-18)30-3/h5-10,13,20H,4,11-12,14-16H2,1-3H3,(H,25,28)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.2738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -4.3041  SlogP: 3.23994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018468  Sterimol/B1: 2.95037  Sterimol/B2: 3.94829  Sterimol/B3: 4.3214
  Sterimol/B4: 5.81287  Sterimol/L: 25.3121 
 
 Surface and Volume Properties
  Accessible surface: 760.625  Positive charged surface: 554.556  Negative charged surface: 206.069  Volume: 413
  Hydrophobic surface: 638.679  Hydrophilic surface: 121.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.