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MMsINC code: MMs02309278

Type: Neutral
Formula: C₁₅H₂₀N₆+2

SMILES:

[NH2+]=C(Nc1ccc(cc1)Cc1ccc(NC(=[NH2+])N)cc1)N

InChI:

InChI=1/C15H18N6/c16-14(17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-15(18)19/h1-8H,9H2,(H4,16,17,20)(H4,18,19,21)/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-76.542 kcal/mol

Physical Properties
Molecular Weight: 284.367 g/mol	logS: -4.1526	SlogP: -1.75123	Reactive groups: 0

Topological Properties
Globularity: 0.0889432	Sterimol/B1: 2.56401	Sterimol/B2: 3.08547	Sterimol/B3: 4.16543
Sterimol/B4: 5.4775	Sterimol/L: 17.5055

Surface and Volume Properties
Accessible surface: 563.348	Positive charged surface: 412.984	Negative charged surface: 150.364	Volume: 287.75
Hydrophobic surface: 259.417	Hydrophilic surface: 303.931

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 6
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02309279
NCID-ZINC01673372