MMsINC Database Search


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MMsINC code: MMs02042705

Type: Neutral
Formula: C₁₅H₁₆FNO₃S

SMILES:

S(=O)(=O)(NCc1ccc(OC)cc1)c1cc(C)c(F)cc1

InChI:

InChI=1/C15H16FNO3S/c1-11-9-14(7-8-15(11)16)21(18,19)17-10-12-3-5-13(20-2)6-4-12/h3-9,17H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.2972 kcal/mol

Physical Properties
Molecular Weight: 309.361 g/mol	logS: -3.49659	SlogP: 2.88762	Reactive groups: 0

Topological Properties
Globularity: 0.0689925	Sterimol/B1: 2.42943	Sterimol/B2: 4.03084	Sterimol/B3: 4.60157
Sterimol/B4: 6.41845	Sterimol/L: 16.9725

Surface and Volume Properties
Accessible surface: 540.483	Positive charged surface: 310.071	Negative charged surface: 230.412	Volume: 276.5
Hydrophobic surface: 445.331	Hydrophilic surface: 95.152

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.