MMsINC Database Search


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MMsINC code: MMs02360297

Type: Neutral
Formula: C₁₀H₂₂N₂

SMILES:

N(C)(C)C1CCCCC1N(C)C

InChI:

InChI=1/C10H22N2/c1-11(2)9-7-5-6-8-10(9)12(3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6865 kcal/mol

Physical Properties
Molecular Weight: 170.3 g/mol	logS: -0.34224	SlogP: 1.4208	Reactive groups: 0

Topological Properties
Globularity: 0.349282	Sterimol/B1: 2.41676	Sterimol/B2: 2.67822	Sterimol/B3: 4.27259
Sterimol/B4: 6.16829	Sterimol/L: 9.57507

Surface and Volume Properties
Accessible surface: 383.712	Positive charged surface: 354.361	Negative charged surface: 29.3512	Volume: 198.5
Hydrophobic surface: 381.224	Hydrophilic surface: 2.488

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02360299
NCID-ZINC01744484