MMsINC Database Search


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MMsINC code: MMs02149163

Type: Neutral
Formula: C₁₈H₁₃ClF₂N₂OS

SMILES:

Clc1cc(ccc1C)-c1nc(sc1C)NC(=O)c1c(F)cccc1F

InChI:

InChI=1/C18H13ClF2N2OS/c1-9-6-7-11(8-12(9)19)16-10(2)25-18(22-16)23-17(24)15-13(20)4-3-5-14(15)21/h3-8H,1-2H3,(H,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7962 kcal/mol

Physical Properties
Molecular Weight: 378.83 g/mol	logS: -7.01953	SlogP: 5.61084	Reactive groups: 0

Topological Properties
Globularity: 0.0432612	Sterimol/B1: 2.58342	Sterimol/B2: 3.61479	Sterimol/B3: 4.06747
Sterimol/B4: 6.97526	Sterimol/L: 18.3958

Surface and Volume Properties
Accessible surface: 601.123	Positive charged surface: 268.913	Negative charged surface: 332.211	Volume: 317.5
Hydrophobic surface: 539.201	Hydrophilic surface: 61.922

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.