MMsINC Database Search


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MMsINC code: MMs02713970

Type: Neutral
Formula: C₁₆H₁₉NO₃S

SMILES:

S(=O)(=O)(NCc1ccccc1C)c1cc(C)c(OC)cc1

InChI:

InChI=1/C16H19NO3S/c1-12-6-4-5-7-14(12)11-17-21(18,19)15-8-9-16(20-3)13(2)10-15/h4-10,17H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7037 kcal/mol

Physical Properties
Molecular Weight: 305.398 g/mol	logS: -3.67553	SlogP: 3.05694	Reactive groups: 0

Topological Properties
Globularity: 0.121475	Sterimol/B1: 2.31438	Sterimol/B2: 3.57212	Sterimol/B3: 5.65497
Sterimol/B4: 6.53342	Sterimol/L: 15.9069

Surface and Volume Properties
Accessible surface: 546.432	Positive charged surface: 329.959	Negative charged surface: 216.473	Volume: 289.75
Hydrophobic surface: 459.903	Hydrophilic surface: 86.529

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.