MMsINC Database Search


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MMsINC code: MMs02264327

Type: Neutral
Formula: C₈H₁₀N₆

SMILES:

n1c(N)c2nccnc2nc1N(C)C

InChI:

InChI=1/C8H10N6/c1-14(2)8-12-6(9)5-7(13-8)11-4-3-10-5/h3-4H,1-2H3,(H2,9,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.4153 kcal/mol

Physical Properties
Molecular Weight: 190.21 g/mol	logS: -1.38529	SlogP: 0.068	Reactive groups: 0

Topological Properties
Globularity: 0.0175831	Sterimol/B1: 2.37502	Sterimol/B2: 2.51381	Sterimol/B3: 4.02763
Sterimol/B4: 4.86782	Sterimol/L: 12.1536

Surface and Volume Properties
Accessible surface: 380.69	Positive charged surface: 338.746	Negative charged surface: 41.9442	Volume: 178
Hydrophobic surface: 245.509	Hydrophilic surface: 135.181

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: no related molecules available.