MMsINC Database Search


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MMsINC code: MMs03562946

Type: Neutral
Formula: C₁₄H₁₄FNO₃S

SMILES:

S(=O)(=O)(NCc1ccc(OC)cc1)c1ccccc1F

InChI:

InChI=1/C14H14FNO3S/c1-19-12-8-6-11(7-9-12)10-16-20(17,18)14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.6464 kcal/mol

Physical Properties
Molecular Weight: 295.334 g/mol	logS: -3.33612	SlogP: 2.5792	Reactive groups: 0

Topological Properties
Globularity: 0.0653014	Sterimol/B1: 3.18555	Sterimol/B2: 3.55732	Sterimol/B3: 3.76936
Sterimol/B4: 4.50678	Sterimol/L: 16.3684

Surface and Volume Properties
Accessible surface: 508.619	Positive charged surface: 283.278	Negative charged surface: 225.342	Volume: 257.5
Hydrophobic surface: 412.757	Hydrophilic surface: 95.862

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.