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CHEMSTAR-ZINC03525988

 MMsINC code: MMs01085597
Type: Neutral
Formula: C23H23NO6
SMILES:   O=C1N(CCCOC)C(=O)c2c1cc(cc2)C(OC(C(=O)c1ccc(cc1)C)C)=O
InChI:   InChI=1/C23H23NO6/c1-14-5-7-16(8-6-14)20(25)15(2)30-23(28)17-9-10-18-19(13-17)22(27)24(21(18)26)11-4-12-29-3/h5-10,13,15H,4,11-12H2,1-3H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=80.3939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.438 g/mol  logS: -5.56125  SlogP: 3.05572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357027  Sterimol/B1: 2.51798  Sterimol/B2: 3.74775  Sterimol/B3: 4.2264
  Sterimol/B4: 5.98238  Sterimol/L: 24.0701 
 
 Surface and Volume Properties
  Accessible surface: 727.406  Positive charged surface: 452.149  Negative charged surface: 275.257  Volume: 385.25
  Hydrophobic surface: 556.117  Hydrophilic surface: 171.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.