MMsINC Database Search


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MMsINC code: MMs03525940

Type: Neutral
Formula: C₂₆H₁₉N₂O+

SMILES:

o1c(ccc1-c1[n+](c2c3c(c4c(c2[nH]1)cccc4)cccc3)C)-c1ccccc1

InChI:

InChI=1/C26H18N2O/c1-28-25-21-14-8-6-12-19(21)18-11-5-7-13-20(18)24(25)27-26(28)23-16-15-22(29-23)17-9-3-2-4-10-17/h2-16H,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.976 kcal/mol

Physical Properties
Molecular Weight: 375.451 g/mol	logS: -10.0782	SlogP: 6.585	Reactive groups: 0

Topological Properties
Globularity: 0.0187229	Sterimol/B1: 2.54221	Sterimol/B2: 3.71454	Sterimol/B3: 4.42228
Sterimol/B4: 7.45104	Sterimol/L: 18.568

Surface and Volume Properties
Accessible surface: 630.189	Positive charged surface: 362.816	Negative charged surface: 257.654	Volume: 371.125
Hydrophobic surface: 569.775	Hydrophilic surface: 60.414

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.