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ACROSORGANICS-ZINC00155717

 MMsINC code: MMs00005234
Type: Neutral
Formula: C10H9NO3
SMILES:   O(C(=O)c1ccccc1)C1NC(=O)C1
InChI:   InChI=1/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=19.4507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.186 g/mol  logS: -1.85067  SlogP: 0.6894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482868  Sterimol/B1: 2.98428  Sterimol/B2: 3.10236  Sterimol/B3: 3.4635
  Sterimol/B4: 4.32721  Sterimol/L: 13.1818 
 
 Surface and Volume Properties
  Accessible surface: 395.904  Positive charged surface: 178.416  Negative charged surface: 161.738  Volume: 175.75
  Hydrophobic surface: 263.268  Hydrophilic surface: 132.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.