MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03016985

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)C(=O)NCc1ccc(F)cc1F

InChI:

InChI=1/C14H12F2N2O3S/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(6-3-9)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)=16.3831 kcal/mol

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

Topological Properties
Globularity: 0.0627782	Sterimol/B1: 2.83016	Sterimol/B2: 3.59757	Sterimol/B3: 3.80984
Sterimol/B4: 5.85067	Sterimol/L: 16.0283

Surface and Volume Properties
Accessible surface: 529.292	Positive charged surface: 246.893	Negative charged surface: 282.399	Volume: 264.375
Hydrophobic surface: 354.632	Hydrophilic surface: 174.66

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

search links for this molecule:

Ions/Tautomers related molecules

MMs03016986
PUBCHEM-ZINC03581211