MMsINC Database Search


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MMsINC code: MMs01076454

Type: Neutral
Formula: C₂₀H₁₉NO₃S

SMILES:

S(=O)(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(OC)cc1

InChI:

InChI=1/C20H19NO3S/c1-24-18-12-14-19(15-13-18)25(22,23)21-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20-21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8148 kcal/mol

Physical Properties
Molecular Weight: 353.442 g/mol	logS: -4.80904	SlogP: 3.8586	Reactive groups: 0

Topological Properties
Globularity: 0.175632	Sterimol/B1: 3.11562	Sterimol/B2: 4.0236	Sterimol/B3: 5.58557
Sterimol/B4: 6.5636	Sterimol/L: 16.1952

Surface and Volume Properties
Accessible surface: 561.128	Positive charged surface: 325.694	Negative charged surface: 235.434	Volume: 334.75
Hydrophobic surface: 479.309	Hydrophilic surface: 81.819

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.