MMsINC Database Search


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MMsINC code: MMs00576875

Type: Neutral
Formula: C₁₇H₁₅Cl₂FN₂O₂S

SMILES:

Clc1cc(Cl)ccc1S(=O)(=O)NCCc1c2cc(F)ccc2[nH]c1C

InChI:

InChI=1/C17H15Cl2FN2O2S/c1-10-13(14-9-12(20)3-4-16(14)22-10)6-7-21-25(23,24)17-5-2-11(18)8-15(17)19/h2-5,8-9,21-22H,6-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4068 kcal/mol

Physical Properties
Molecular Weight: 401.289 g/mol	logS: -5.41908	SlogP: 4.44319	Reactive groups: 0

Topological Properties
Globularity: 0.117952	Sterimol/B1: 2.11785	Sterimol/B2: 2.98126	Sterimol/B3: 4.48007
Sterimol/B4: 8.57564	Sterimol/L: 14.3564

Surface and Volume Properties
Accessible surface: 589.988	Positive charged surface: 251.435	Negative charged surface: 335.255	Volume: 326.75
Hydrophobic surface: 481.578	Hydrophilic surface: 108.41

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.