MMsINC Database Search


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MMsINC code: MMs00419029

Type: Neutral
Formula: C₁₄H₁₃F₂N₃O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cccnc1)c1cc(F)c(F)cc1)C

InChI:

InChI=1/C14H13F2N3O3S/c1-23(21,22)19(11-4-5-12(15)13(16)7-11)9-14(20)18-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0974 kcal/mol

Physical Properties
Molecular Weight: 341.338 g/mol	logS: -2.62669	SlogP: 1.7645	Reactive groups: 0

Topological Properties
Globularity: 0.123003	Sterimol/B1: 2.1411	Sterimol/B2: 3.53087	Sterimol/B3: 4.39138
Sterimol/B4: 8.52294	Sterimol/L: 13.4733

Surface and Volume Properties
Accessible surface: 529.897	Positive charged surface: 299.649	Negative charged surface: 230.248	Volume: 278
Hydrophobic surface: 426.204	Hydrophilic surface: 103.693

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.