MMsINC Database Search


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MMsINC code: MMs00631997

Type: Neutral
Formula: C₁₁H₁₀FN₃OS₃

SMILES:

s1c(SCc2ccc(F)cc2)nnc1SCC(=O)N

InChI:

InChI=1/C11H10FN3OS3/c12-8-3-1-7(2-4-8)5-17-10-14-15-11(19-10)18-6-9(13)16/h1-4H,5-6H2,(H2,13,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.9591 kcal/mol

Physical Properties
Molecular Weight: 315.417 g/mol	logS: -6.30907	SlogP: 2.8133	Reactive groups: 0

Topological Properties
Globularity: 0.031545	Sterimol/B1: 2.42244	Sterimol/B2: 2.99994	Sterimol/B3: 4.8172
Sterimol/B4: 4.84422	Sterimol/L: 19.0384

Surface and Volume Properties
Accessible surface: 528.091	Positive charged surface: 244.974	Negative charged surface: 283.117	Volume: 256.75
Hydrophobic surface: 296.719	Hydrophilic surface: 231.372

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.