MMsINC Database Search


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MMsINC code: MMs02057344

Type: Neutral
Formula: C₁₈H₁₅NO₃S

SMILES:

S(=O)(=O)(C)c1cc(ccc1)C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C18H15NO3S/c1-23(21,22)15-9-4-8-14(12-15)18(20)19-17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.5768 kcal/mol

Physical Properties
Molecular Weight: 325.388 g/mol	logS: -5.37344	SlogP: 3.4956	Reactive groups: 0

Topological Properties
Globularity: 0.0236642	Sterimol/B1: 2.25603	Sterimol/B2: 4.07616	Sterimol/B3: 4.21256
Sterimol/B4: 5.91567	Sterimol/L: 16.6233

Surface and Volume Properties
Accessible surface: 547.059	Positive charged surface: 261.159	Negative charged surface: 276.137	Volume: 295.75
Hydrophobic surface: 445.864	Hydrophilic surface: 101.195

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.