MMsINC Database Search


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MMsINC code: MMs03022811

Type: Neutral
Formula: C₁₅H₂₈N₄

SMILES:

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

InChI:

InChI=1/C15H28N4/c1-5-18(6-2)12-14-19(13-11-17(3)4)15-9-7-8-10-16-15/h7-10H,5-6,11-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1743 kcal/mol

Physical Properties
Molecular Weight: 264.417 g/mol	logS: -0.81561	SlogP: 1.7914	Reactive groups: 0

Topological Properties
Globularity: 0.0859668	Sterimol/B1: 2.45852	Sterimol/B2: 2.56042	Sterimol/B3: 4.36642
Sterimol/B4: 9.94368	Sterimol/L: 13.9572

Surface and Volume Properties
Accessible surface: 560.595	Positive charged surface: 466.43	Negative charged surface: 94.1657	Volume: 298.5
Hydrophobic surface: 499.104	Hydrophilic surface: 61.491

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

MMs03022812
PUBCHEM-ZINC03614955