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MMsINC code: MMs02343993

Type: Ionized
Formula: C₂₄H₃₈N₂O₂+2

SMILES:

Oc1c(cc(cc1C)C)C[NH2+]CCCCCC[NH2+]Cc1cc(cc(C)c1O)C

InChI:

InChI=1/C24H36N2O2/c1-17-11-19(3)23(27)21(13-17)15-25-9-7-5-6-8-10-26-16-22-14-18(2)12-20(4)24(22)28/h11-14,25-28H,5-10,15-16H2,1-4H3/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.8072 kcal/mol

Physical Properties
Molecular Weight: 386.58 g/mol	logS: -3.9634	SlogP: 3.25168	Reactive groups: 0

Topological Properties
Globularity: 0.0320418	Sterimol/B1: 2.46548	Sterimol/B2: 3.48306	Sterimol/B3: 5.50925
Sterimol/B4: 5.64703	Sterimol/L: 25.5032

Surface and Volume Properties
Accessible surface: 788.319	Positive charged surface: 597.098	Negative charged surface: 191.221	Volume: 425.25
Hydrophobic surface: 693.715	Hydrophilic surface: 94.604

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:

MMs02343992
NCID-ZINC01718687