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ASINEX-ZINC00191278

 MMsINC code: MMs00088820
Type: Neutral
Formula: C14H8BrNO3
SMILES:   Brc1cc2c(cc1)C(=O)N(c1ccccc1O)C2=O
InChI:   InChI=1/C14H8BrNO3/c15-8-5-6-9-10(7-8)14(19)16(13(9)18)11-3-1-2-4-12(11)17/h1-7,17H

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Potential Energy
Epot(MMFF94)=75.1094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.126 g/mol  logS: -4.48703  SlogP: 2.9553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108673  Sterimol/B1: 2.32978  Sterimol/B2: 3.20984  Sterimol/B3: 4.30544
  Sterimol/B4: 5.01032  Sterimol/L: 15.1376 
 
 Surface and Volume Properties
  Accessible surface: 477.734  Positive charged surface: 193.509  Negative charged surface: 284.225  Volume: 242.625
  Hydrophobic surface: 366.703  Hydrophilic surface: 111.031
 
 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.