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PUBCHEM-ZINC00143501

 MMsINC code: MMs02635536
Type: Neutral
Formula: C10H10N2O5
SMILES:   O(C(=O)NNC(=O)c1ccccc1C(O)=O)C
InChI:   InChI=1/C10H10N2O5/c1-17-10(16)12-11-8(13)6-4-2-3-5-7(6)9(14)15/h2-5H,1H3,(H,11,13)(H,12,16)(H,14,15)

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Potential Energy
Epot(MMFF94)=53.4205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.199 g/mol  logS: -1.86172  SlogP: 0.3856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064063  Sterimol/B1: 2.13237  Sterimol/B2: 4.14739  Sterimol/B3: 4.25612
  Sterimol/B4: 5.4863  Sterimol/L: 12.9263 
 
 Surface and Volume Properties
  Accessible surface: 446.42  Positive charged surface: 282.482  Negative charged surface: 163.938  Volume: 204.125
  Hydrophobic surface: 246.107  Hydrophilic surface: 200.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02635537
PUBCHEM-ZINC00143501