MMsINC Database Search


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MMsINC code: MMs02422819

Type: Neutral
Formula: C₁₉H₁₆OS

SMILES:

S(=O)(Cc1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C19H16OS/c20-21(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2831 kcal/mol

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

Topological Properties
Globularity: 0.016156	Sterimol/B1: 2.4123	Sterimol/B2: 3.61586	Sterimol/B3: 3.64431
Sterimol/B4: 3.67899	Sterimol/L: 18.7263

Surface and Volume Properties
Accessible surface: 548.644	Positive charged surface: 282.774	Negative charged surface: 255.136	Volume: 293.25
Hydrophobic surface: 509.768	Hydrophilic surface: 38.876

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.