MMsINC Database Search


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MMsINC code: MMs00282537

Type: Neutral
Formula: C₁₃H₇F₇N₂S

SMILES:

S(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1nc(cc(n1)C)C

InChI:

InChI=1/C13H7F7N2S/c1-4-3-5(2)22-12(21-4)23-11-9(16)7(14)6(13(18,19)20)8(15)10(11)17/h3H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.407 kcal/mol

Physical Properties
Molecular Weight: 356.265 g/mol	logS: -6.59799	SlogP: 5.13134	Reactive groups: 0

Topological Properties
Globularity: 0.0965915	Sterimol/B1: 2.13251	Sterimol/B2: 3.86692	Sterimol/B3: 3.87273
Sterimol/B4: 7.19947	Sterimol/L: 14.6004

Surface and Volume Properties
Accessible surface: 502.852	Positive charged surface: 189.916	Negative charged surface: 312.937	Volume: 256
Hydrophobic surface: 350.913	Hydrophilic surface: 151.939

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.