MMsINC Database Search


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MMsINC code: MMs02255136

Type: Neutral
Formula: C₁₄H₃₀N₂

SMILES:

N(CCCC)C1CCCCC1NCCCC

InChI:

InChI=1/C14H30N2/c1-3-5-11-15-13-9-7-8-10-14(13)16-12-6-4-2/h13-16H,3-12H2,1-2H3/t13-,14-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.3223 kcal/mol

Physical Properties
Molecular Weight: 226.408 g/mol	logS: -2.16874	SlogP: 3.077	Reactive groups: 0

Topological Properties
Globularity: 0.0625058	Sterimol/B1: 2.34705	Sterimol/B2: 2.83724	Sterimol/B3: 3.17971
Sterimol/B4: 9.2948	Sterimol/L: 14.9924

Surface and Volume Properties
Accessible surface: 543.857	Positive charged surface: 444.126	Negative charged surface: 99.7311	Volume: 271.5
Hydrophobic surface: 475.545	Hydrophilic surface: 68.312

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02255138
NCID-ZINC01602271