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MMsINC code: MMs02637221

Type: Ionized
Formula: C₁₅H₂₆N₂O₂+2

SMILES:

O(C)c1cc(OC)ccc1C[NH2+]C1CC[NH+](CC1)C

InChI:

InChI=1/C15H24N2O2/c1-17-8-6-13(7-9-17)16-11-12-4-5-14(18-2)10-15(12)19-3/h4-5,10,13,16H,6-9,11H2,1-3H3/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.3339 kcal/mol

Physical Properties
Molecular Weight: 266.385 g/mol	logS: -1.62763	SlogP: -0.2893	Reactive groups: 0

Topological Properties
Globularity: 0.0337849	Sterimol/B1: 2.75599	Sterimol/B2: 3.55	Sterimol/B3: 3.84852
Sterimol/B4: 5.54382	Sterimol/L: 17.5317

Surface and Volume Properties
Accessible surface: 542.2	Positive charged surface: 477.94	Negative charged surface: 64.2595	Volume: 286.875
Hydrophobic surface: 470.939	Hydrophilic surface: 71.261

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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:

MMs02637220
PUBCHEM-ZINC00182698