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CHEMBLOCK-ZINC00141306

 MMsINC code: MMs00501686
Type: Neutral
Formula: C10H12N8
SMILES:   n1nc(n(N)c1Cn1ccnc1)Cn1ccnc1
InChI:   InChI=1/C10H12N8/c11-18-9(5-16-3-1-12-7-16)14-15-10(18)6-17-4-2-13-8-17/h1-4,7-8H,5-6,11H2

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Potential Energy
Epot(MMFF94)=21.7793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.262 g/mol  logS: -0.15921  SlogP: 0.0143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938325  Sterimol/B1: 2.71409  Sterimol/B2: 2.88338  Sterimol/B3: 4.37528
  Sterimol/B4: 4.53491  Sterimol/L: 13.6826 
 
 Surface and Volume Properties
  Accessible surface: 450.13  Positive charged surface: 328.224  Negative charged surface: 121.906  Volume: 225.125
  Hydrophobic surface: 285.839  Hydrophilic surface: 164.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00501687
CHEMBLOCK-ZINC00141306