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IBS-ZINC02095038

 MMsINC code: MMs01783331
Type: Neutral
Formula: C24H20N2O5
SMILES:   O(C)c1cc2c(N3C(N(C2=O)c2ccc(OC)cc2)c2c(cccc2)C3=O)cc1OC
InChI:   InChI=1/C24H20N2O5/c1-29-15-10-8-14(9-11-15)25-22-16-6-4-5-7-17(16)23(27)26(22)19-13-21(31-3)20(30-2)12-18(19)24(25)28/h4-13,22H,1-3H3/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=152.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.433 g/mol  logS: -5.41599  SlogP: 4.1273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567347  Sterimol/B1: 2.2666  Sterimol/B2: 3.7967  Sterimol/B3: 4.87161
  Sterimol/B4: 8.35051  Sterimol/L: 17.5534 
 
 Surface and Volume Properties
  Accessible surface: 651.2  Positive charged surface: 461.255  Negative charged surface: 189.945  Volume: 379.375
  Hydrophobic surface: 556.555  Hydrophilic surface: 94.645
 
 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.