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NCID-ZINC05606452

 MMsINC code: MMs02479754
Type: Neutral
Formula: C15H9NO5
SMILES:   Oc1c2c(C(=O)c3c(cccc3)C2=O)c(O)cc1NC=O
InChI:   InChI=1/C15H9NO5/c17-6-16-9-5-10(18)11-12(15(9)21)14(20)8-4-2-1-3-7(8)13(11)19/h1-6,18,21H,(H,16,17)

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Potential Energy
Epot(MMFF94)=90.7019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.239 g/mol  logS: -3.25947  SlogP: 1.4415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0102864  Sterimol/B1: 2.41219  Sterimol/B2: 2.60638  Sterimol/B3: 4.40703
  Sterimol/B4: 4.73575  Sterimol/L: 14.6845 
 
 Surface and Volume Properties
  Accessible surface: 457.407  Positive charged surface: 278.931  Negative charged surface: 178.476  Volume: 239.625
  Hydrophobic surface: 238.255  Hydrophilic surface: 219.152
 
 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: no related molecules available.