MMsINC Database Search


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MMsINC code: MMs00432248

Type: Neutral
Formula: C₂₆H₁₉O+

SMILES:

O1[C+](c2c(cccc2)C1(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H19O/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(27-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.092 kcal/mol

Physical Properties
Molecular Weight: 347.437 g/mol	logS: -6.90872	SlogP: 6.24859	Reactive groups: 0

Topological Properties
Globularity: 0.421482	Sterimol/B1: 4.54023	Sterimol/B2: 5.34517	Sterimol/B3: 5.74847
Sterimol/B4: 6.91608	Sterimol/L: 13.322

Surface and Volume Properties
Accessible surface: 601.798	Positive charged surface: 300.259	Negative charged surface: 301.539	Volume: 354
Hydrophobic surface: 598.432	Hydrophilic surface: 3.366

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

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.