MMsINC Database Search


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MMsINC code: MMs02494809

Type: Neutral
Formula: C₁₈H₃₆N+

SMILES:

[NH+]1(CCCCCCCCCCCC1)C1CCCCC1

InChI:

InChI=1/C18H35N/c1-2-4-6-8-13-17-19(16-12-7-5-3-1)18-14-10-9-11-15-18/h18H,1-17H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.5078 kcal/mol

Physical Properties
Molecular Weight: 266.493 g/mol	logS: -4.98242	SlogP: 4.1186	Reactive groups: 0

Topological Properties
Globularity: 0.0945086	Sterimol/B1: 2.77788	Sterimol/B2: 4.142	Sterimol/B3: 4.52768
Sterimol/B4: 6.24734	Sterimol/L: 14.7457

Surface and Volume Properties
Accessible surface: 530.09	Positive charged surface: 452.904	Negative charged surface: 77.1861	Volume: 324.875
Hydrophobic surface: 519.787	Hydrophilic surface: 10.303

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

MMs02494810
NCID-ZINC05758572