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MMsINC code: MMs01412211

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CNC(=O)c1ccc(F)cc1F

InChI:

InChI=1/C14H12F2N2O3S/c15-10-3-6-12(13(16)7-10)14(19)18-8-9-1-4-11(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.6098 kcal/mol

Physical Properties
Molecular Weight: 326.323 g/mol	logS: -4.11548	SlogP: 1.8086	Reactive groups: 0

Topological Properties
Globularity: 0.0505003	Sterimol/B1: 2.43224	Sterimol/B2: 3.54671	Sterimol/B3: 4.81799
Sterimol/B4: 5.15803	Sterimol/L: 16.9726

Surface and Volume Properties
Accessible surface: 528.976	Positive charged surface: 254.907	Negative charged surface: 274.069	Volume: 267.25
Hydrophobic surface: 353.661	Hydrophilic surface: 175.315

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01412212
ENAMINE-ZINC03388592