MMsINC Database Search


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MMsINC code: MMs03285512

Type: Neutral
Formula: C₁₉H₁₆OS

SMILES:

S(=O)(Cc1ccc(cc1)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H16OS/c20-21(19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-14H,15H2/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3747 kcal/mol

Physical Properties
Molecular Weight: 292.402 g/mol	logS: -5.86933	SlogP: 4.9278	Reactive groups: 0

Topological Properties
Globularity: 0.0125293	Sterimol/B1: 2.99323	Sterimol/B2: 3.02586	Sterimol/B3: 3.61621
Sterimol/B4: 3.67964	Sterimol/L: 18.7738

Surface and Volume Properties
Accessible surface: 546.959	Positive charged surface: 280.47	Negative charged surface: 255.418	Volume: 291.875
Hydrophobic surface: 508.088	Hydrophilic surface: 38.871

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.