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ASINEX-ZINC00187477

 MMsINC code: MMs00087960
Type: Neutral
Formula: C18H11NO3
SMILES:   Oc1ccc(N2C(=O)c3c4c(cccc4ccc3)C2=O)cc1
InChI:   InChI=1/C18H11NO3/c20-13-9-7-12(8-10-13)19-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(19)22/h1-10,20H

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Potential Energy
Epot(MMFF94)=94.0956 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: 0.0597828  Sterimol/B1: 2.43301  Sterimol/B2: 3.62106  Sterimol/B3: 3.62401
  Sterimol/B4: 7.2749  Sterimol/L: 14.8165 
 
 Surface and Volume Properties
  Accessible surface: 479.759  Positive charged surface: 253.294  Negative charged surface: 216.914  Volume: 261.625
  Hydrophobic surface: 370.541  Hydrophilic surface: 109.218
 
 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.