MMsINC Database Search


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MMsINC code: MMs00695003

Type: Neutral
Formula: C₈H₁₁N₄+

SMILES:

[NH2+]=C(N\N=C\c1ccccc1)N

InChI:

InChI=1/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)/p+1/b11-6+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.6579 kcal/mol

Physical Properties
Molecular Weight: 163.204 g/mol	logS: -1.89383	SlogP: -1.3161	Reactive groups: 0

Topological Properties
Globularity: 6.85712e-07	Sterimol/B1: 2.09909	Sterimol/B2: 2.09979	Sterimol/B3: 3.47944
Sterimol/B4: 4.35859	Sterimol/L: 13.2759

Surface and Volume Properties
Accessible surface: 380.562	Positive charged surface: 262.968	Negative charged surface: 117.593	Volume: 167
Hydrophobic surface: 204.383	Hydrophilic surface: 176.179

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 3
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

MMs00695005
CHEMBRIDGE-ZINC01691373