MMsINC Database Search


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MMsINC code: MMs02657508

Type: Neutral
Formula: C₁₁H₁₀FN₃O₂S

SMILES:

S(=O)(=O)(N)c1cnccc1Nc1cc(F)ccc1

InChI:

InChI=1/C11H10FN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2077 kcal/mol

Physical Properties
Molecular Weight: 267.284 g/mol	logS: -2.26865	SlogP: 1.6117	Reactive groups: 0

Topological Properties
Globularity: 0.0729411	Sterimol/B1: 2.98564	Sterimol/B2: 3.48842	Sterimol/B3: 4.25655
Sterimol/B4: 5.44568	Sterimol/L: 12.8219

Surface and Volume Properties
Accessible surface: 436.447	Positive charged surface: 244.92	Negative charged surface: 191.527	Volume: 218.625
Hydrophobic surface: 293.778	Hydrophilic surface: 142.669

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

MMs02657509
PUBCHEM-ZINC00334938