MMsINC Database Search


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MMsINC code: MMs02707703

Type: Neutral
Formula: C₁₀H₁₀N₆

SMILES:

n1c2c(n(C)c1Nn1nccn1)cccc2

InChI:

InChI=1/C10H10N6/c1-15-9-5-3-2-4-8(9)13-10(15)14-16-11-6-7-12-16/h2-7H,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.4343 kcal/mol

Physical Properties
Molecular Weight: 214.232 g/mol	logS: -1.67179	SlogP: 1.3992	Reactive groups: 0

Topological Properties
Globularity: 0.00664845	Sterimol/B1: 1.969	Sterimol/B2: 2.10409	Sterimol/B3: 2.51255
Sterimol/B4: 7.25071	Sterimol/L: 13.9071

Surface and Volume Properties
Accessible surface: 417.403	Positive charged surface: 299.608	Negative charged surface: 117.795	Volume: 198.5
Hydrophobic surface: 339.189	Hydrophilic surface: 78.214

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.