MMsINC Database Search


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MMsINC code: MMs02656489

Type: Neutral
Formula: C₆H₁₀N₄

SMILES:

n1c(cc(nc1N)N)CC

InChI:

InChI=1/C6H10N4/c1-2-4-3-5(7)10-6(8)9-4/h3H,2H2,1H3,(H4,7,8,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-26.9586 kcal/mol

Physical Properties
Molecular Weight: 138.174 g/mol	logS: -1.15766	SlogP: 0.20337	Reactive groups: 0

Topological Properties
Globularity: 0.0649995	Sterimol/B1: 2.47947	Sterimol/B2: 3.53227	Sterimol/B3: 4.06685
Sterimol/B4: 4.65084	Sterimol/L: 10.3568

Surface and Volume Properties
Accessible surface: 331.548	Positive charged surface: 248.642	Negative charged surface: 82.9056	Volume: 138
Hydrophobic surface: 130.122	Hydrophilic surface: 201.426

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.