MMsINC Database Search


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MMsINC code: MMs02714055

Type: Neutral
Formula: C₁₉H₁₉NO₃S

SMILES:

S(=O)(=O)(NC(C)c1ccccc1)c1c2c(cccc2)c(OC)cc1

InChI:

InChI=1/C19H19NO3S/c1-14(15-8-4-3-5-9-15)20-24(21,22)19-13-12-18(23-2)16-10-6-7-11-17(16)19/h3-14,20H,1-2H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.888 kcal/mol

Physical Properties
Molecular Weight: 341.431 g/mol	logS: -5.24623	SlogP: 3.9834	Reactive groups: 0

Topological Properties
Globularity: 0.277085	Sterimol/B1: 2.36988	Sterimol/B2: 4.94991	Sterimol/B3: 5.20601
Sterimol/B4: 8.17257	Sterimol/L: 13.7129

Surface and Volume Properties
Accessible surface: 567.333	Positive charged surface: 330.244	Negative charged surface: 229.526	Volume: 319.25
Hydrophobic surface: 479.826	Hydrophilic surface: 87.507

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.