MMsINC Database Search


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MMsINC code: MMs03576449

Type: Neutral
Formula: C₂₆H₂₃N₂O+

SMILES:

O(Cc1[n+](c2c([nH]1)cccc2)Cc1ccc(cc1)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C26H22N2O/c1-19-10-12-20(13-11-19)17-28-25-9-5-4-8-24(25)27-26(28)18-29-23-15-14-21-6-2-3-7-22(21)16-23/h2-16H,17-18H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.65 kcal/mol

Physical Properties
Molecular Weight: 379.483 g/mol	logS: -7.444	SlogP: 6.07712	Reactive groups: 0

Topological Properties
Globularity: 0.0644108	Sterimol/B1: 2.14391	Sterimol/B2: 2.33804	Sterimol/B3: 5.40519
Sterimol/B4: 11.0546	Sterimol/L: 17.5098

Surface and Volume Properties
Accessible surface: 675.655	Positive charged surface: 388.852	Negative charged surface: 275.976	Volume: 386.625
Hydrophobic surface: 616.408	Hydrophilic surface: 59.247

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.