MMsINC Database Search


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MMsINC code: MMs03027832

Type: Ionized
Formula: C₁₅H₂₆N₂+2

SMILES:

[NH+](CCC[NH+]1CCc2c(CC1)cccc2)(C)C

InChI:

InChI=1/C15H24N2/c1-16(2)10-5-11-17-12-8-14-6-3-4-7-15(14)9-13-17/h3-4,6-7H,5,8-13H2,1-2H3/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.576 kcal/mol

Physical Properties
Molecular Weight: 234.387 g/mol	logS: -1.55255	SlogP: -0.79536	Reactive groups: 0

Topological Properties
Globularity: 0.0422685	Sterimol/B1: 2.66224	Sterimol/B2: 3.16117	Sterimol/B3: 3.24257
Sterimol/B4: 5.63529	Sterimol/L: 16.5783

Surface and Volume Properties
Accessible surface: 509.766	Positive charged surface: 420.492	Negative charged surface: 89.2736	Volume: 272
Hydrophobic surface: 430.77	Hydrophilic surface: 78.996

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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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Parent related molecule:

MMs03027831
PUBCHEM-ZINC03631772