MMsINC Database Search


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MMsINC code: MMs00205006

Type: Neutral
Formula: C₁₄H₁₄FN₃O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cccnc1)c1ccc(F)cc1)C

InChI:

InChI=1/C14H14FN3O3S/c1-22(20,21)18(13-6-4-11(15)5-7-13)10-14(19)17-12-3-2-8-16-9-12/h2-9H,10H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8484 kcal/mol

Physical Properties
Molecular Weight: 323.348 g/mol	logS: -2.33171	SlogP: 1.6254	Reactive groups: 0

Topological Properties
Globularity: 0.121054	Sterimol/B1: 2.28528	Sterimol/B2: 3.55026	Sterimol/B3: 4.33424
Sterimol/B4: 8.53537	Sterimol/L: 13.6319

Surface and Volume Properties
Accessible surface: 526.301	Positive charged surface: 310.222	Negative charged surface: 216.079	Volume: 277.5
Hydrophobic surface: 422.348	Hydrophilic surface: 103.953

Pharmacophoric Properties
Hydrogen bond donors: 1	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.