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PUBCHEM-ZINC01005488

 MMsINC code: MMs02755011
Type: Neutral
Formula: C24H23N3O6
SMILES:   O=C1N(C(=O)c2c3c1ccc(NC(CO)(CO)CO)c3ccc2)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C24H23N3O6/c1-14(31)25-15-5-7-16(8-6-15)27-22(32)18-4-2-3-17-20(26-24(11-28,12-29)13-30)10-9-19(21(17)18)23(27)33/h2-10,26,28-30H,11-13H2,1H3,(H,25,31)

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Potential Energy
Epot(MMFF94)=217.657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.463 g/mol  logS: -5.03476  SlogP: 1.7264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421098  Sterimol/B1: 2.52953  Sterimol/B2: 4.32216  Sterimol/B3: 4.65573
  Sterimol/B4: 7.74977  Sterimol/L: 21.4343 
 
 Surface and Volume Properties
  Accessible surface: 697.65  Positive charged surface: 443.808  Negative charged surface: 245.951  Volume: 400.25
  Hydrophobic surface: 447.359  Hydrophilic surface: 250.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.