MMsINC Database Search


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MMsINC code: MMs00738034

Type: Neutral
Formula: C₂₄H₁₉O₂+

SMILES:

[o+]1c(cc(cc1-c1ccccc1)-c1ccc(OC)cc1)-c1ccccc1

InChI:

InChI=1/C24H19O2/c1-25-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)26-24(17-21)20-10-6-3-7-11-20/h2-17H,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.501 kcal/mol

Physical Properties
Molecular Weight: 339.414 g/mol	logS: -8.5249	SlogP: 6.5703	Reactive groups: 0

Topological Properties
Globularity: 0.0024052	Sterimol/B1: 2.37482	Sterimol/B2: 2.37528	Sterimol/B3: 7.00993
Sterimol/B4: 7.39001	Sterimol/L: 17.0124

Surface and Volume Properties
Accessible surface: 621.54	Positive charged surface: 318.443	Negative charged surface: 280.955	Volume: 346.625
Hydrophobic surface: 593.708	Hydrophilic surface: 27.832

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.