MMsINC Database Search


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MMsINC code: MMs02212948

Type: Neutral
Formula: C₁₄H₁₂FNO₂S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)\C=C\c1ccc(F)cc1

InChI:

InChI=1/C14H12FNO2S/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)19(16,17)18/h1-10H,(H2,16,17,18)/b2-1+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0148 kcal/mol

Physical Properties
Molecular Weight: 277.319 g/mol	logS: -4.78065	SlogP: 2.6435	Reactive groups: 0

Topological Properties
Globularity: 0.0184876	Sterimol/B1: 2.4845	Sterimol/B2: 2.84982	Sterimol/B3: 3.15902
Sterimol/B4: 5.35993	Sterimol/L: 16.6182

Surface and Volume Properties
Accessible surface: 489.832	Positive charged surface: 222.376	Negative charged surface: 267.456	Volume: 244.25
Hydrophobic surface: 356.853	Hydrophilic surface: 132.979

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02212949
NCID-ZINC00009206