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NCID-ZINC04804233

 MMsINC code: MMs02408519
Type: Neutral
Formula: C14H10N2O5
SMILES:   O1C=2C(=Nc3c1cccc3CO)C(C(O)=O)=C(N)C(=O)C=2
InChI:   InChI=1/C14H10N2O5/c15-11-7(18)4-9-13(10(11)14(19)20)16-12-6(5-17)2-1-3-8(12)21-9/h1-4,17H,5,15H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=75.6335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.243 g/mol  logS: -3.45069  SlogP: 0.6742  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00558163  Sterimol/B1: 2.36386  Sterimol/B2: 2.38588  Sterimol/B3: 3.22731
  Sterimol/B4: 6.76244  Sterimol/L: 12.9331 
 
 Surface and Volume Properties
  Accessible surface: 451.82  Positive charged surface: 286.797  Negative charged surface: 165.022  Volume: 242.375
  Hydrophobic surface: 228.685  Hydrophilic surface: 223.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02408520
NCID-ZINC04804233