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IBS-ZINC04806988

 MMsINC code: MMs01894525
Type: Neutral
Formula: C15H12N2O5
SMILES:   O=C\1N(CC=C)C(=O)NC(=O)/C/1=C\c1ccc(cc1)C(O)=O
InChI:   InChI=1/C15H12N2O5/c1-2-7-17-13(19)11(12(18)16-15(17)22)8-9-3-5-10(6-4-9)14(20)21/h2-6,8H,1,7H2,(H,20,21)(H,16,18,22)/b11-8-

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Potential Energy
Epot(MMFF94)=24.2005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.27 g/mol  logS: -3.17074  SlogP: 1.0326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567713  Sterimol/B1: 2.18497  Sterimol/B2: 2.68143  Sterimol/B3: 3.45287
  Sterimol/B4: 8.49596  Sterimol/L: 13.8853 
 
 Surface and Volume Properties
  Accessible surface: 505.345  Positive charged surface: 284.34  Negative charged surface: 221.005  Volume: 263
  Hydrophobic surface: 227.878  Hydrophilic surface: 277.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01894526
IBS-ZINC04806988