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PUBCHEM-ZINC05117522

 MMsINC code: MMs03205087
Type: Neutral
Formula: C16H11NO3
SMILES:   O=C1NC(=Cc2c1cccc2)c1ccccc1C(O)=O
InChI:   InChI=1/C16H11NO3/c18-15-11-6-2-1-5-10(11)9-14(17-15)12-7-3-4-8-13(12)16(19)20/h1-9H,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=66.6419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.268 g/mol  logS: -3.96208  SlogP: 2.6263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102819  Sterimol/B1: 2.3478  Sterimol/B2: 3.92782  Sterimol/B3: 4.5803
  Sterimol/B4: 5.21457  Sterimol/L: 14.3098 
 
 Surface and Volume Properties
  Accessible surface: 465.578  Positive charged surface: 262.345  Negative charged surface: 203.234  Volume: 243.375
  Hydrophobic surface: 323.922  Hydrophilic surface: 141.656
 
 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


MMs03205088
PUBCHEM-ZINC05117522