MMsINC Database Search


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MMsINC code: MMs02347755

Type: Neutral
Formula: C₁₄H₂₉N₃

SMILES:

NC(CCN1CCCCC1)CN1CCCCC1

InChI:

InChI=1/C14H29N3/c15-14(13-17-10-5-2-6-11-17)7-12-16-8-3-1-4-9-16/h14H,1-13,15H2/t14-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.4954 kcal/mol

Physical Properties
Molecular Weight: 239.407 g/mol	logS: -0.78775	SlogP: 1.6756	Reactive groups: 0

Topological Properties
Globularity: 0.0483039	Sterimol/B1: 3.151	Sterimol/B2: 3.47966	Sterimol/B3: 3.57125
Sterimol/B4: 4.23686	Sterimol/L: 16.5959

Surface and Volume Properties
Accessible surface: 516.639	Positive charged surface: 451.078	Negative charged surface: 65.5604	Volume: 272.25
Hydrophobic surface: 473.56	Hydrophilic surface: 43.079

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02347757
NCID-ZINC01723489