MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02751848

Type: Neutral
Formula: C₁₅H₁₀ClFN₂O₂S

SMILES:

Clc1ccc(NC(=O)CSc2oc3c(n2)cccc3)cc1F

InChI:

InChI=1/C15H10ClFN2O2S/c16-10-6-5-9(7-11(10)17)18-14(20)8-22-15-19-12-3-1-2-4-13(12)21-15/h1-7H,8H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0839 kcal/mol

Physical Properties
Molecular Weight: 336.774 g/mol	logS: -6.66373	SlogP: 4.3511	Reactive groups: 0

Topological Properties
Globularity: 0.00834761	Sterimol/B1: 2.42761	Sterimol/B2: 2.67598	Sterimol/B3: 3.71004
Sterimol/B4: 3.95473	Sterimol/L: 19.732

Surface and Volume Properties
Accessible surface: 559.069	Positive charged surface: 255.714	Negative charged surface: 303.355	Volume: 276
Hydrophobic surface: 431.386	Hydrophilic surface: 127.683

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.