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APOLLO-ZINC00153221

 MMsINC code: MMs00043971
Type: Neutral
Formula: C14H13NO4
SMILES:   o1nc(C(OCC)=O)c(C(=O)c2ccccc2)c1C
InChI:   InChI=1/C14H13NO4/c1-3-18-14(17)12-11(9(2)19-15-12)13(16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=69.7996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.261 g/mol  logS: -3.27929  SlogP: 2.39072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114232  Sterimol/B1: 3.79984  Sterimol/B2: 3.87042  Sterimol/B3: 4.46362
  Sterimol/B4: 6.6218  Sterimol/L: 13.3942 
 
 Surface and Volume Properties
  Accessible surface: 490.595  Positive charged surface: 268.154  Negative charged surface: 222.441  Volume: 242.375
  Hydrophobic surface: 373.995  Hydrophilic surface: 116.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.