MMsINC Database Search


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MMsINC code: MMs02713246

Type: Neutral
Formula: C₁₅H₁₅NO₃S

SMILES:

S(=O)(=O)(NC(=O)c1ccccc1C)c1ccc(cc1)C

InChI:

InChI=1/C15H15NO3S/c1-11-7-9-13(10-8-11)20(18,19)16-15(17)14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.1134 kcal/mol

Physical Properties
Molecular Weight: 289.355 g/mol	logS: -4.5258	SlogP: 2.42214	Reactive groups: 0

Topological Properties
Globularity: 0.120673	Sterimol/B1: 2.55157	Sterimol/B2: 3.25147	Sterimol/B3: 5.6736
Sterimol/B4: 6.63171	Sterimol/L: 14.7603

Surface and Volume Properties
Accessible surface: 505.369	Positive charged surface: 262.022	Negative charged surface: 243.346	Volume: 264.125
Hydrophobic surface: 417.158	Hydrophilic surface: 88.211

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.