MMsINC Database Search


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MMsINC code: MMs02255245

Type: Neutral
Formula: C₁₆H₂₉N₃+2

SMILES:

[nH+]1cccc(C)c1N(CCC)CC[NH+]1CCCCC1

InChI:

InChI=1/C16H27N3/c1-3-10-19(16-15(2)8-7-9-17-16)14-13-18-11-5-4-6-12-18/h7-9H,3-6,10-14H2,1-2H3/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3831 kcal/mol

Physical Properties
Molecular Weight: 263.429 g/mol	logS: -1.65812	SlogP: 1.09432	Reactive groups: 0

Topological Properties
Globularity: 0.150536	Sterimol/B1: 2.20133	Sterimol/B2: 3.61506	Sterimol/B3: 5.03431
Sterimol/B4: 8.65501	Sterimol/L: 14.0608

Surface and Volume Properties
Accessible surface: 560.024	Positive charged surface: 453.446	Negative charged surface: 106.578	Volume: 303.75
Hydrophobic surface: 475.454	Hydrophilic surface: 84.57

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

MMs02255247
NCID-ZINC01602372