MMsINC Database Search


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MMsINC code: MMs03580381

Type: Neutral
Formula: C₂₆H₂₃N₂O+

SMILES:

O(Cc1[n+](c2c([nH]1)cccc2)Cc1ccccc1C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H22N2O/c1-19-9-2-3-11-21(19)17-28-24-15-7-6-14-23(24)27-26(28)18-29-25-16-8-12-20-10-4-5-13-22(20)25/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)=113.999 kcal/mol

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

Topological Properties
Globularity: 0.0991512	Sterimol/B1: 2.21664	Sterimol/B2: 2.47712	Sterimol/B3: 6.23839
Sterimol/B4: 10.1928	Sterimol/L: 15.9089

Surface and Volume Properties
Accessible surface: 669.943	Positive charged surface: 380.353	Negative charged surface: 277.473	Volume: 386.5
Hydrophobic surface: 627.342	Hydrophilic surface: 42.601

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.