MMsINC Database Search


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MMsINC code: MMs01643943

Type: Neutral
Formula: C₁₄H₁₃F₂NO₃S₂

SMILES:

S1\C(=C/c2cc(OC)c(OC(F)F)cc2)\C(=O)N(CC)C1=S

InChI:

InChI=1/C14H13F2NO3S2/c1-3-17-12(18)11(22-14(17)21)7-8-4-5-9(20-13(15)16)10(6-8)19-2/h4-7,13H,3H2,1-2H3/b11-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8669 kcal/mol

Physical Properties
Molecular Weight: 345.39 g/mol	logS: -4.74979	SlogP: 3.9376	Reactive groups: 0

Topological Properties
Globularity: 0.078793	Sterimol/B1: 3.18068	Sterimol/B2: 3.65939	Sterimol/B3: 3.87584
Sterimol/B4: 6.52705	Sterimol/L: 15.5317

Surface and Volume Properties
Accessible surface: 523.959	Positive charged surface: 264.429	Negative charged surface: 259.53	Volume: 283.75
Hydrophobic surface: 276.488	Hydrophilic surface: 247.471

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.