MMsINC Database Search


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MMsINC code: MMs02158017

Type: Neutral
Formula: C₁₅H₁₆N₅+

SMILES:

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

InChI:

InChI=1/C15H15N5/c16-15(19-17-11-13-7-3-1-4-8-13)20-18-12-14-9-5-2-6-10-14/h1-12H,(H3,16,19,20)/p+1/b17-11+,18-12+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.7726 kcal/mol

Physical Properties
Molecular Weight: 266.328 g/mol	logS: -3.79498	SlogP: 0.3489	Reactive groups: 0

Topological Properties
Globularity: 1.46638e-07	Sterimol/B1: 2.09906	Sterimol/B2: 2.09917	Sterimol/B3: 3.39603
Sterimol/B4: 4.51318	Sterimol/L: 19.6158

Surface and Volume Properties
Accessible surface: 551.554	Positive charged surface: 346.66	Negative charged surface: 204.893	Volume: 273.75
Hydrophobic surface: 407.329	Hydrophilic surface: 144.225

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02158018
MAYBRIDGE-ZINC01694945