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MMsINC code: MMs02414938

Type: Ionized
Formula: C₂₆H₂₆NO+

SMILES:

OC(c1ccc2c(cccc2)c1C[NH+](C)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H25NO/c1-27(2)19-24-23-16-10-9-11-20(23)17-18-25(24)26(28,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-18,28H,19H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.974 kcal/mol

Physical Properties
Molecular Weight: 368.5 g/mol	logS: -6.41664	SlogP: 4.3464	Reactive groups: 0

Topological Properties
Globularity: 0.285037	Sterimol/B1: 2.24367	Sterimol/B2: 4.44322	Sterimol/B3: 7.37221
Sterimol/B4: 8.10366	Sterimol/L: 14.7307

Surface and Volume Properties
Accessible surface: 633.459	Positive charged surface: 408.748	Negative charged surface: 217.557	Volume: 395
Hydrophobic surface: 579.852	Hydrophilic surface: 53.607

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
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

search links for this molecule:

Parent related molecule:

MMs02414937
NCID-ZINC04900407