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MMsINC code: MMs03041340

Type: Neutral
Formula: C₂₆H₃₆N₂O

SMILES:

O(CCCC)c1ccc(cc1)-c1[nH]c2c(cc(cc2)CCCC)c1CCCCN

InChI:

InChI=1/C26H36N2O/c1-3-5-9-20-11-16-25-24(19-20)23(10-7-8-17-27)26(28-25)21-12-14-22(15-13-21)29-18-6-4-2/h11-16,19,28H,3-10,17-18,27H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5812 kcal/mol

Physical Properties
Molecular Weight: 392.587 g/mol	logS: -7.31405	SlogP: 6.63774	Reactive groups: 0

Topological Properties
Globularity: 0.036286	Sterimol/B1: 3.56156	Sterimol/B2: 4.13639	Sterimol/B3: 6.41317
Sterimol/B4: 6.77228	Sterimol/L: 23.1562

Surface and Volume Properties
Accessible surface: 797.877	Positive charged surface: 581.778	Negative charged surface: 211.188	Volume: 432.75
Hydrophobic surface: 654.104	Hydrophilic surface: 143.773

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03041341
PUBCHEM-ZINC03685963