MMsINC Database Search


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MMsINC code: MMs02801363

Type: Neutral
Formula: C₁₄H₁₅FN₄O₃S

SMILES:

S(=O)(=O)(NC(=O)N(C)c1nc(cc(n1)C)C)c1ccc(F)cc1

InChI:

InChI=1/C14H15FN4O3S/c1-9-8-10(2)17-13(16-9)19(3)14(20)18-23(21,22)12-6-4-11(15)5-7-12/h4-8H,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.5443 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.79551	SlogP: 1.76724	Reactive groups: 0

Topological Properties
Globularity: 0.102792	Sterimol/B1: 2.07168	Sterimol/B2: 3.69548	Sterimol/B3: 4.63435
Sterimol/B4: 7.919	Sterimol/L: 14.445

Surface and Volume Properties
Accessible surface: 556.661	Positive charged surface: 326.301	Negative charged surface: 230.36	Volume: 287.5
Hydrophobic surface: 450.965	Hydrophilic surface: 105.696

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.