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ENAMINE-ZINC07015968

 MMsINC code: MMs01720825
Type: Neutral
Formula: C23H24N2O4
SMILES:   O=C1N(C)C2(N(c3c1cccc3)C(=O)CC2)C(OCc1ccc(cc1)C(C)C)=O
InChI:   InChI=1/C23H24N2O4/c1-15(2)17-10-8-16(9-11-17)14-29-22(28)23-13-12-20(26)25(23)19-7-5-4-6-18(19)21(27)24(23)3/h4-11,15H,12-14H2,1-3H3/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=104.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -5.63888  SlogP: 3.7285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104753  Sterimol/B1: 3.26434  Sterimol/B2: 4.7704  Sterimol/B3: 5.42359
  Sterimol/B4: 6.21225  Sterimol/L: 17.3564 
 
 Surface and Volume Properties
  Accessible surface: 660.839  Positive charged surface: 413.181  Negative charged surface: 247.658  Volume: 379.875
  Hydrophobic surface: 528.871  Hydrophilic surface: 131.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.