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ACROSORGANICS-ZINC03848530

 MMsINC code: MMs00015259
Type: Neutral
Formula: C18H11NO2
SMILES:   O=C1c2c(cccc2)C(=O)C1c1nc2c(cc1)cccc2
InChI:   InChI=1/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H

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Potential Energy
Epot(MMFF94)=71.4507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.291 g/mol  logS: -4.58893  SlogP: 3.3976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752661  Sterimol/B1: 2.98859  Sterimol/B2: 3.50249  Sterimol/B3: 4.68757
  Sterimol/B4: 4.80983  Sterimol/L: 15.1243 
 
 Surface and Volume Properties
  Accessible surface: 490.229  Positive charged surface: 241.327  Negative charged surface: 243.367  Volume: 256.375
  Hydrophobic surface: 399.371  Hydrophilic surface: 90.858
 
 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


MMs00015260
ACROSORGANICS-ZINC03848530