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ASINEX-ZINC04587926

 MMsINC code: MMs00354088
Type: Neutral
Formula: C15H10Br2N2O
SMILES:   Brc1cc2NC(=O)/C(=N\c3ccc(Br)cc3)/c2cc1C
InChI:   InChI=1/C15H10Br2N2O/c1-8-6-11-13(7-12(8)17)19-15(20)14(11)18-10-4-2-9(16)3-5-10/h2-7H,1H3,(H,18,19,20)

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Potential Energy
Epot(MMFF94)=90.1708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.066 g/mol  logS: -6.3006  SlogP: 4.59292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289231  Sterimol/B1: 2.23774  Sterimol/B2: 2.59512  Sterimol/B3: 2.98718
  Sterimol/B4: 6.21227  Sterimol/L: 17.1345 
 
 Surface and Volume Properties
  Accessible surface: 530.719  Positive charged surface: 214.087  Negative charged surface: 316.632  Volume: 281.25
  Hydrophobic surface: 456.427  Hydrophilic surface: 74.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.