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MMsINC code: MMs00754054

Type: Neutral
Formula: C₁₁H₁₅N₄+

SMILES:

[NH2+]=C(NCCn1c2c(cccc2)cc1)N

InChI:

InChI=1/C11H14N4/c12-11(13)14-6-8-15-7-5-9-3-1-2-4-10(9)15/h1-5,7H,6,8H2,(H4,12,13,14)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-42.8675 kcal/mol

Physical Properties
Molecular Weight: 203.269 g/mol	logS: -1.86494	SlogP: -0.4289	Reactive groups: 0

Topological Properties
Globularity: 0.0883887	Sterimol/B1: 3.11695	Sterimol/B2: 3.17651	Sterimol/B3: 3.51032
Sterimol/B4: 6.07675	Sterimol/L: 13.6479

Surface and Volume Properties
Accessible surface: 436.859	Positive charged surface: 299.313	Negative charged surface: 132.149	Volume: 211.5
Hydrophobic surface: 269.598	Hydrophilic surface: 167.261

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

MMs00754055
CHEMBRIDGE-ZINC03650699