MMsINC Database Search


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MMsINC code: MMs02374867

Type: Neutral
Formula: C₁₄H₂₀N₄

SMILES:

n1c(N(C)C)c2c(nc1N(CC)CC)cccc2

InChI:

InChI=1/C14H20N4/c1-5-18(6-2)14-15-12-10-8-7-9-11(12)13(16-14)17(3)4/h7-10H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9761 kcal/mol

Physical Properties
Molecular Weight: 244.342 g/mol	logS: -3.55666	SlogP: 2.542	Reactive groups: 0

Topological Properties
Globularity: 0.143174	Sterimol/B1: 2.73199	Sterimol/B2: 3.45514	Sterimol/B3: 4.45868
Sterimol/B4: 7.1976	Sterimol/L: 11.8213

Surface and Volume Properties
Accessible surface: 485.042	Positive charged surface: 370.397	Negative charged surface: 111.435	Volume: 261.25
Hydrophobic surface: 412.963	Hydrophilic surface: 72.079

Pharmacophoric Properties
Hydrogen bond donors: 0	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.