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ENAMINE-ZINC03393250

 MMsINC code: MMs01415125
Type: Neutral
Formula: C23H24N2O4
SMILES:   O(C(=O)c1c2c(cc3c1cccc3)cccc2)CC(=O)NC(=O)NCCC(C)C
InChI:   InChI=1/C23H24N2O4/c1-15(2)11-12-24-23(28)25-20(26)14-29-22(27)21-18-9-5-3-7-16(18)13-17-8-4-6-10-19(17)21/h3-10,13,15H,11-12,14H2,1-2H3,(H2,24,25,26,28)

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Potential Energy
Epot(MMFF94)=78.9021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -7.48289  SlogP: 4.0217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321005  Sterimol/B1: 3.68085  Sterimol/B2: 3.99774  Sterimol/B3: 5.60055
  Sterimol/B4: 6.56359  Sterimol/L: 20.6707 
 
 Surface and Volume Properties
  Accessible surface: 698.44  Positive charged surface: 412.375  Negative charged surface: 266.001  Volume: 381.625
  Hydrophobic surface: 521.676  Hydrophilic surface: 176.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.