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PUBCHEM-ZINC06578607

 MMsINC code: MMs03806143
Type: Neutral
Formula: C14H18N2O7
SMILES:   O1C(CO)C(O)C(O)C(O)C1NC(=O)NC(=O)c1ccccc1
InChI:   InChI=1/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=69.6962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.305 g/mol  logS: -1.12159  SlogP: -2.0741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519408  Sterimol/B1: 3.09431  Sterimol/B2: 4.13118  Sterimol/B3: 4.55948
  Sterimol/B4: 5.65821  Sterimol/L: 17.2506 
 
 Surface and Volume Properties
  Accessible surface: 558.891  Positive charged surface: 356.173  Negative charged surface: 202.719  Volume: 281
  Hydrophobic surface: 293.838  Hydrophilic surface: 265.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.