MMsINC Database Search


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MMsINC code: MMs01618920

Type: Neutral
Formula: C₂₀H₁₇FN₂O₄S

SMILES:

S1\C(=C\c2ccc(F)cc2)\C(=O)N(CCNC(=O)c2ccccc2OC)C1=O

InChI:

InChI=1/C20H17FN2O4S/c1-27-16-5-3-2-4-15(16)18(24)22-10-11-23-19(25)17(28-20(23)26)12-13-6-8-14(21)9-7-13/h2-9,12H,10-11H2,1H3,(H,22,24)/b17-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8045 kcal/mol

Physical Properties
Molecular Weight: 400.43 g/mol	logS: -5.2705	SlogP: 3.3006	Reactive groups: 0

Topological Properties
Globularity: 0.032821	Sterimol/B1: 2.45994	Sterimol/B2: 3.55625	Sterimol/B3: 4.24413
Sterimol/B4: 7.23011	Sterimol/L: 21.0157

Surface and Volume Properties
Accessible surface: 655.269	Positive charged surface: 363.168	Negative charged surface: 292.101	Volume: 352.75
Hydrophobic surface: 506.92	Hydrophilic surface: 148.349

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.