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NANOSIN-ZINC01510276

 MMsINC code: MMs02196553
Type: Neutral
Formula: C14H14N4
SMILES:   N(NC(=N)c1ccccc1)C(=N)c1ccccc1
InChI:   InChI=1/C14H14N4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,(H2,15,17)(H2,16,18)

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Potential Energy
Epot(MMFF94)=76.0438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.294 g/mol  logS: -3.98492  SlogP: 2.13174  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.14316e-07  Sterimol/B1: 2.10002  Sterimol/B2: 2.10143  Sterimol/B3: 3.48427
  Sterimol/B4: 4.46976  Sterimol/L: 16.5223 
 
 Surface and Volume Properties
  Accessible surface: 479.998  Positive charged surface: 244.961  Negative charged surface: 235.038  Volume: 241.375
  Hydrophobic surface: 369.132  Hydrophilic surface: 110.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02196554
NANOSIN-ZINC01510276