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MMsINC code: MMs02204525

Type: Neutral
Formula: C₁₅H₁₉N₅+2

SMILES:

[NH2+]=C(N(Cc1ccccc1)c1ccccc1)NC(=[NH2+])N

InChI:

InChI=1/C15H17N5/c16-14(17)19-15(18)20(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H5,16,17,18,19)/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-58.8576 kcal/mol

Physical Properties
Molecular Weight: 269.352 g/mol	logS: -3.77736	SlogP: -1.2619	Reactive groups: 0

Topological Properties
Globularity: 0.184234	Sterimol/B1: 3.28791	Sterimol/B2: 4.64536	Sterimol/B3: 5.68996
Sterimol/B4: 5.97806	Sterimol/L: 13.1671

Surface and Volume Properties
Accessible surface: 516.405	Positive charged surface: 347.203	Negative charged surface: 169.202	Volume: 276.375
Hydrophobic surface: 351.585	Hydrophilic surface: 164.82

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 5
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

MMs02204526
NANOSIN-ZINC04256104