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MMsINC code: MMs03285300

Type: Neutral
Formula: C₂₅H₁₉O+

SMILES:

[o+]1c-2c(CCc3c-2cccc3)c(cc1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C25H19O/c1-3-9-18(10-4-1)23-17-24(20-12-5-2-6-13-20)26-25-21-14-8-7-11-19(21)15-16-22(23)25/h1-14,17H,15-16H2/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.156 kcal/mol

Physical Properties
Molecular Weight: 335.426 g/mol	logS: -9.00687	SlogP: 6.66024	Reactive groups: 0

Topological Properties
Globularity: 0.0450741	Sterimol/B1: 3.03027	Sterimol/B2: 3.17097	Sterimol/B3: 3.34507
Sterimol/B4: 10.6811	Sterimol/L: 14.7528

Surface and Volume Properties
Accessible surface: 590.942	Positive charged surface: 312.977	Negative charged surface: 263.729	Volume: 344.125
Hydrophobic surface: 575.724	Hydrophilic surface: 15.218

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