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ASINEX-ZINC02889629

 MMsINC code: MMs00280133
Type: Neutral
Formula: C14H12N2O5
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=Cc1ccc(cc1)C(O)=O
InChI:   InChI=1/C14H12N2O5/c1-15-11(17)10(12(18)16(2)14(15)21)7-8-3-5-9(6-4-8)13(19)20/h3-7H,1-2H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=30.5437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.259 g/mol  logS: -2.56852  SlogP: 0.8186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481984  Sterimol/B1: 2.6431  Sterimol/B2: 3.23697  Sterimol/B3: 3.37661
  Sterimol/B4: 5.70869  Sterimol/L: 14.8284 
 
 Surface and Volume Properties
  Accessible surface: 487.802  Positive charged surface: 323.4  Negative charged surface: 164.403  Volume: 250.5
  Hydrophobic surface: 307.054  Hydrophilic surface: 180.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs00280134
ASINEX-ZINC02889629