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MMsINC code: MMs02814289

Type: Ionized
Formula: C₂₄H₃₆N₂O₂+2

SMILES:

Oc1c2c(ccc1C[NH2+]C1CCCCC1)c(C[NH2+]C1CCCCC1)c(O)cc2

InChI:

InChI=1/C24H34N2O2/c27-23-14-13-21-20(22(23)16-26-19-9-5-2-6-10-19)12-11-17(24(21)28)15-25-18-7-3-1-4-8-18/h11-14,18-19,25-28H,1-10,15-16H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.669 kcal/mol

Physical Properties
Molecular Weight: 384.564 g/mol	logS: -4.91336	SlogP: 3.576	Reactive groups: 0

Topological Properties
Globularity: 0.0279197	Sterimol/B1: 2.67532	Sterimol/B2: 3.19213	Sterimol/B3: 4.59421
Sterimol/B4: 7.16946	Sterimol/L: 21.9487

Surface and Volume Properties
Accessible surface: 703.611	Positive charged surface: 550.822	Negative charged surface: 142.439	Volume: 406.5
Hydrophobic surface: 618.843	Hydrophilic surface: 84.768

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs02814288
PUBCHEM-ZINC01552521