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MMsINC code: MMs03216348

Type: Neutral
Formula: C₁₄H₁₆N₄

SMILES:

N(=Nc1cc(N)c(cc1)C)c1cc(N)c(cc1)C

InChI:

InChI=1/C14H16N4/c1-9-3-5-11(7-13(9)15)17-18-12-6-4-10(2)14(16)8-12/h3-8H,15-16H2,1-2H3/b18-17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9194 kcal/mol

Physical Properties
Molecular Weight: 240.31 g/mol	logS: -3.04038	SlogP: 3.88324	Reactive groups: 0

Topological Properties
Globularity: 0.00487414	Sterimol/B1: 2.1019	Sterimol/B2: 2.51217	Sterimol/B3: 3.24506
Sterimol/B4: 4.9347	Sterimol/L: 15.965

Surface and Volume Properties
Accessible surface: 497.039	Positive charged surface: 308.317	Negative charged surface: 188.723	Volume: 243
Hydrophobic surface: 393.761	Hydrophilic surface: 103.278

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
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: no related molecules available.