MMsINC Database Search


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MMsINC code: MMs03946938

Type: Neutral
Formula: C₂₆H₂₃N₂O+

SMILES:

O(Cc1[n+](c2c([nH]1)cccc2)Cc1cc2c(cc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C26H22N2O/c1-19-10-14-23(15-11-19)29-18-26-27-24-8-4-5-9-25(24)28(26)17-20-12-13-21-6-2-3-7-22(21)16-20/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)=109.417 kcal/mol

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

Topological Properties
Globularity: 0.0810621	Sterimol/B1: 3.63582	Sterimol/B2: 3.77837	Sterimol/B3: 6.55869
Sterimol/B4: 7.50961	Sterimol/L: 16.5822

Surface and Volume Properties
Accessible surface: 666.967	Positive charged surface: 386.725	Negative charged surface: 270.363	Volume: 388.375
Hydrophobic surface: 606.253	Hydrophilic surface: 60.714

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.