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NCID-ZINC01599712

 MMsINC code: MMs02252975
Type: Neutral
Formula: C15H11NO4
SMILES:   OC(=O)c1ccccc1\N=C(\C(O)=O)/c1ccccc1
InChI:   InChI=1/C15H11NO4/c17-14(18)11-8-4-5-9-12(11)16-13(15(19)20)10-6-2-1-3-7-10/h1-9H,(H,17,18)(H,19,20)/b16-13-

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Potential Energy
Epot(MMFF94)=82.2079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.256 g/mol  logS: -3.57366  SlogP: 2.5902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846876  Sterimol/B1: 2.82421  Sterimol/B2: 4.10334  Sterimol/B3: 4.69258
  Sterimol/B4: 4.98636  Sterimol/L: 14.0725 
 
 Surface and Volume Properties
  Accessible surface: 472.127  Positive charged surface: 254.734  Negative charged surface: 217.393  Volume: 245
  Hydrophobic surface: 314.395  Hydrophilic surface: 157.732
 
 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


MMs02252976
NCID-ZINC01599712