MMsINC Database Search


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MMsINC code: MMs02292135

Type: Neutral
Formula: C₂₀H₁₈OS

SMILES:

S(=O)(C(c1ccccc1)c1ccccc1)c1ccccc1C

InChI:

InChI=1/C20H18OS/c1-16-10-8-9-15-19(16)22(21)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20H,1H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.369 kcal/mol

Physical Properties
Molecular Weight: 306.429 g/mol	logS: -5.37132	SlogP: 4.98772	Reactive groups: 0

Topological Properties
Globularity: 0.28547	Sterimol/B1: 2.34842	Sterimol/B2: 4.70417	Sterimol/B3: 5.67547
Sterimol/B4: 6.98558	Sterimol/L: 14.4351

Surface and Volume Properties
Accessible surface: 526.761	Positive charged surface: 292.611	Negative charged surface: 234.15	Volume: 306.5
Hydrophobic surface: 491.779	Hydrophilic surface: 34.982

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.