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PUBCHEM-ZINC05830846

 MMsINC code: MMs03405523
Type: Neutral
Formula: C10H12Cl2N4
SMILES:   Clc1cc(ccc1Cl)/C(=N/N\C(=N/C)\N)/C
InChI:   InChI=1/C10H12Cl2N4/c1-6(15-16-10(13)14-2)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3,(H3,13,14,16)/b15-6-

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Potential Energy
Epot(MMFF94)=57.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.14 g/mol  logS: -3.58697  SlogP: 2.2515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497006  Sterimol/B1: 2.06829  Sterimol/B2: 2.57447  Sterimol/B3: 3.70332
  Sterimol/B4: 7.92767  Sterimol/L: 14.0792 
 
 Surface and Volume Properties
  Accessible surface: 470.35  Positive charged surface: 255.929  Negative charged surface: 214.422  Volume: 228.25
  Hydrophobic surface: 374.399  Hydrophilic surface: 95.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.