MMsINC Database Search


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MMsINC code: MMs02670060

Type: Neutral
Formula: C₁₉H₁₇NO₃S

SMILES:

S(=O)(=O)(CC(=O)Nc1ccc(cc1)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H17NO3S/c1-14-6-9-17(10-7-14)20-19(21)13-24(22,23)18-11-8-15-4-2-3-5-16(15)12-18/h2-12H,13H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4697 kcal/mol

Physical Properties
Molecular Weight: 339.415 g/mol	logS: -5.8738	SlogP: 3.56062	Reactive groups: 0

Topological Properties
Globularity: 0.0303591	Sterimol/B1: 3.29625	Sterimol/B2: 3.75608	Sterimol/B3: 3.97378
Sterimol/B4: 4.07585	Sterimol/L: 19.7475

Surface and Volume Properties
Accessible surface: 598.494	Positive charged surface: 313.264	Negative charged surface: 274.673	Volume: 314.25
Hydrophobic surface: 502.192	Hydrophilic surface: 96.302

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.