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NANOSIN-ZINC04257886

 MMsINC code: MMs02205559
Type: Neutral
Formula: C19H23NO6
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)C)C1OCc1cc2c(cc1)cccc2
InChI:   InChI=1/C19H23NO6/c1-11(22)20-16-18(24)17(23)15(9-21)26-19(16)25-10-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,15-19,21,23-24H,9-10H2,1H3,(H,20,22)/t15-,16+,17+,18-,19-/m0/s1

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Potential Energy
Epot(MMFF94)=108.544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.394 g/mol  logS: -3.12348  SlogP: 0.5665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125268  Sterimol/B1: 2.56223  Sterimol/B2: 2.56664  Sterimol/B3: 5.6733
  Sterimol/B4: 9.32249  Sterimol/L: 16.1549 
 
 Surface and Volume Properties
  Accessible surface: 634.185  Positive charged surface: 415.555  Negative charged surface: 206.099  Volume: 339.375
  Hydrophobic surface: 472.724  Hydrophilic surface: 161.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.