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CHEMSTAR-ZINC00227153

 MMsINC code: MMs01073820
Type: Neutral
Formula: C18H11NO3
SMILES:   Oc1c2c(cccc2)c(N2C(=O)c3c(cccc3)C2=O)cc1
InChI:   InChI=1/C18H11NO3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-17(21)13-7-3-4-8-14(13)18(19)22/h1-10,20H

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Potential Energy
Epot(MMFF94)=96.5261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.29 g/mol  logS: -5.27452  SlogP: 3.346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896456  Sterimol/B1: 2.50555  Sterimol/B2: 3.95958  Sterimol/B3: 4.05113
  Sterimol/B4: 7.47666  Sterimol/L: 14.1858 
 
 Surface and Volume Properties
  Accessible surface: 496.555  Positive charged surface: 243.609  Negative charged surface: 244.139  Volume: 266.125
  Hydrophobic surface: 381.747  Hydrophilic surface: 114.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.