MMsINC Database Search


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MMsINC code: MMs01376613

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₄S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2occc2)ccc1F

InChI:

InChI=1/C18H14ClFN2O4S/c19-15-10-13(7-8-16(15)20)27(24,25)22-17-6-2-1-5-14(17)18(23)21-11-12-4-3-9-26-12/h1-10,22H,11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6834 kcal/mol

Physical Properties
Molecular Weight: 408.837 g/mol	logS: -5.74159	SlogP: 4.0693	Reactive groups: 0

Topological Properties
Globularity: 0.155651	Sterimol/B1: 2.37614	Sterimol/B2: 3.89186	Sterimol/B3: 6.22101
Sterimol/B4: 8.51228	Sterimol/L: 15.8869

Surface and Volume Properties
Accessible surface: 613.056	Positive charged surface: 264.388	Negative charged surface: 348.668	Volume: 335.125
Hydrophobic surface: 493.631	Hydrophilic surface: 119.425

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.