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MMsINC code: MMs02687728

Type: Neutral
Formula: C₁₄H₁₄FN₃O₂S₂

SMILES:

S(=O)(=O)(N)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1

InChI:

InChI=1/C14H14FN3O2S2/c15-11-3-1-10(2-4-11)9-17-14(21)18-12-5-7-13(8-6-12)22(16,19)20/h1-8H,9H2,(H2,16,19,20)(H2,17,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4305 kcal/mol

Physical Properties
Molecular Weight: 339.415 g/mol	logS: -4.93432	SlogP: 2.2261	Reactive groups: 0

Topological Properties
Globularity: 0.0367503	Sterimol/B1: 2.37537	Sterimol/B2: 2.61922	Sterimol/B3: 4.3729
Sterimol/B4: 4.99157	Sterimol/L: 18.6704

Surface and Volume Properties
Accessible surface: 557.217	Positive charged surface: 279.68	Negative charged surface: 277.537	Volume: 284.875
Hydrophobic surface: 333.178	Hydrophilic surface: 224.039

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02687729
PUBCHEM-ZINC00468119