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NANOSIN-ZINC00123863

 MMsINC code: MMs02190039
Type: Neutral
Formula: C14H10N2O5
SMILES:   OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChI:   InChI=1/C14H10N2O5/c17-13(9-3-7-12(8-4-9)16(20)21)15-11-5-1-10(2-6-11)14(18)19/h1-8H,(H,15,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.8483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.243 g/mol  logS: -4.1145  SlogP: 2.5453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109378  Sterimol/B1: 2.097  Sterimol/B2: 2.65154  Sterimol/B3: 3.02828
  Sterimol/B4: 4.8912  Sterimol/L: 17.7336 
 
 Surface and Volume Properties
  Accessible surface: 490.059  Positive charged surface: 222.682  Negative charged surface: 267.377  Volume: 243.75
  Hydrophobic surface: 274.494  Hydrophilic surface: 215.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1
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Ions/Tautomers related molecules


MMs02190040
NANOSIN-ZINC00123863