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ASINEX-ZINC00280856

 MMsINC code: MMs00107156
Type: Neutral
Formula: C21H13NO4
SMILES:   o1nc2c3c(C(=O)c4c(-c13)cccc4)c(O)cc2Oc1ccc(cc1)C
InChI:   InChI=1/C21H13NO4/c1-11-6-8-12(9-7-11)25-16-10-15(23)17-18-19(16)22-26-21(18)14-5-3-2-4-13(14)20(17)24/h2-10,23H,1H3

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Potential Energy
Epot(MMFF94)=147.252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.338 g/mol  logS: -6.59508  SlogP: 4.84552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311026  Sterimol/B1: 3.39256  Sterimol/B2: 3.61517  Sterimol/B3: 3.65493
  Sterimol/B4: 5.53551  Sterimol/L: 18.0165 
 
 Surface and Volume Properties
  Accessible surface: 551.524  Positive charged surface: 303.603  Negative charged surface: 242.656  Volume: 308.5
  Hydrophobic surface: 437.668  Hydrophilic surface: 113.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.