MMsINC Database Search


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MMsINC code: MMs00403806

Type: Neutral
Formula: C₁₄H₂₀N₄

SMILES:

n1c2cc(N)ccc2n(C)c1CN1CCCCC1

InChI:

InChI=1/C14H20N4/c1-17-13-6-5-11(15)9-12(13)16-14(17)10-18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.1253 kcal/mol

Physical Properties
Molecular Weight: 244.342 g/mol	logS: -1.87689	SlogP: 2.767	Reactive groups: 0

Topological Properties
Globularity: 0.0802833	Sterimol/B1: 2.14567	Sterimol/B2: 3.03708	Sterimol/B3: 4.10086
Sterimol/B4: 6.95179	Sterimol/L: 14.5723

Surface and Volume Properties
Accessible surface: 485.473	Positive charged surface: 381.693	Negative charged surface: 103.78	Volume: 253.125
Hydrophobic surface: 400.165	Hydrophilic surface: 85.308

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00403808
ASINEX-ZINC04911353