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ENAMINE-ZINC03367010

 MMsINC code: MMs01399245
Type: Neutral
Formula: C23H24N2O5
SMILES:   O=C1N(CCc2ccccc2)C(=O)c2c1cc(cc2)C(OCC(=O)N(CC)CC)=O
InChI:   InChI=1/C23H24N2O5/c1-3-24(4-2)20(26)15-30-23(29)17-10-11-18-19(14-17)22(28)25(21(18)27)13-12-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=68.3101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -4.86683  SlogP: 2.55047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0145161  Sterimol/B1: 2.25034  Sterimol/B2: 2.79669  Sterimol/B3: 4.01292
  Sterimol/B4: 6.41244  Sterimol/L: 23.423 
 
 Surface and Volume Properties
  Accessible surface: 715.025  Positive charged surface: 430.218  Negative charged surface: 284.808  Volume: 392.75
  Hydrophobic surface: 530.333  Hydrophilic surface: 184.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.