MMsINC Database Search


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MMsINC code: MMs02278069

Type: Neutral
Formula: C₁₃H₂₄N₄

SMILES:

n1ccccc1N(CCN(C)C)CCN(C)C

InChI:

InChI=1/C13H24N4/c1-15(2)9-11-17(12-10-16(3)4)13-7-5-6-8-14-13/h5-8H,9-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9415 kcal/mol

Physical Properties
Molecular Weight: 236.363 g/mol	logS: -0.16119	SlogP: 1.0112	Reactive groups: 0

Topological Properties
Globularity: 0.0918994	Sterimol/B1: 2.05764	Sterimol/B2: 2.24672	Sterimol/B3: 3.70847
Sterimol/B4: 9.8684	Sterimol/L: 13.5183

Surface and Volume Properties
Accessible surface: 511.988	Positive charged surface: 455.138	Negative charged surface: 56.8502	Volume: 266.125
Hydrophobic surface: 490.147	Hydrophilic surface: 21.841

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02278071
NCID-ZINC01634010