MMsINC Database Search


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MMsINC code: MMs02353737

Type: Neutral
Formula: C₁₆H₃₆N+

SMILES:

[NH+](CCC(CCCC)(CCCC)CCC)(C)C

InChI:

InChI=1/C16H35N/c1-6-9-12-16(11-8-3,13-10-7-2)14-15-17(4)5/h6-15H2,1-5H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.4189 kcal/mol

Physical Properties
Molecular Weight: 242.471 g/mol	logS: -5.66044	SlogP: 3.6879	Reactive groups: 0

Topological Properties
Globularity: 0.206424	Sterimol/B1: 3.12362	Sterimol/B2: 4.34551	Sterimol/B3: 6.54362
Sterimol/B4: 6.93203	Sterimol/L: 14.7239

Surface and Volume Properties
Accessible surface: 574.272	Positive charged surface: 480.768	Negative charged surface: 93.5042	Volume: 312.5
Hydrophobic surface: 454.576	Hydrophilic surface: 119.696

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

search links for this molecule:

Ions/Tautomers related molecules

MMs02353738
NCID-ZINC01730871