MMsINC Database Search


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MMsINC code: MMs00734676

Type: Neutral
Formula: C₁₈H₁₇ClFNO₃S

SMILES:

Clc1cccc(F)c1CSCC(=O)Nc1cc(ccc1C)C(OC)=O

InChI:

InChI=1/C18H17ClFNO3S/c1-11-6-7-12(18(23)24-2)8-16(11)21-17(22)10-25-9-13-14(19)4-3-5-15(13)20/h3-8H,9-10H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2963 kcal/mol

Physical Properties
Molecular Weight: 381.855 g/mol	logS: -5.91822	SlogP: 4.71242	Reactive groups: 0

Topological Properties
Globularity: 0.0376774	Sterimol/B1: 1.969	Sterimol/B2: 3.75712	Sterimol/B3: 4.78344
Sterimol/B4: 9.57513	Sterimol/L: 17.748

Surface and Volume Properties
Accessible surface: 639.992	Positive charged surface: 364.754	Negative charged surface: 275.238	Volume: 335.75
Hydrophobic surface: 536.729	Hydrophilic surface: 103.263

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.