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MMsINC code: MMs01296804

Type: Neutral
Formula: C₁₅H₁₉N₄+

SMILES:

[NH+]=1CCCCCC=1N\N=C\c1c2c([nH]c1)cccc2

InChI:

InChI=1/C15H18N4/c1-2-8-15(16-9-5-1)19-18-11-12-10-17-14-7-4-3-6-13(12)14/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,16,19)/p+1/b18-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8004 kcal/mol

Physical Properties
Molecular Weight: 255.345 g/mol	logS: -2.7666	SlogP: 1.1445	Reactive groups: 0

Topological Properties
Globularity: 0.0292253	Sterimol/B1: 2.50795	Sterimol/B2: 3.04879	Sterimol/B3: 3.06399
Sterimol/B4: 7.18592	Sterimol/L: 15.2446

Surface and Volume Properties
Accessible surface: 509.92	Positive charged surface: 356.666	Negative charged surface: 147.412	Volume: 263.5
Hydrophobic surface: 396.198	Hydrophilic surface: 113.722

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 2
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

MMs01296805
ENAMINE-ZINC03178796