MMsINC Database Search


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MMsINC code: MMs01149406

Type: Neutral
Formula: C₁₇H₁₄ClFN₂O₂S

SMILES:

Clc1ccccc1C(=O)N1CSCC1C(=O)Nc1ccccc1F

InChI:

InChI=1/C17H14ClFN2O2S/c18-12-6-2-1-5-11(12)17(23)21-10-24-9-15(21)16(22)20-14-8-4-3-7-13(14)19/h1-8,15H,9-10H2,(H,20,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.368 kcal/mol

Physical Properties
Molecular Weight: 364.828 g/mol	logS: -5.29694	SlogP: 3.6329	Reactive groups: 0

Topological Properties
Globularity: 0.102338	Sterimol/B1: 2.49571	Sterimol/B2: 3.11675	Sterimol/B3: 6.28172
Sterimol/B4: 6.72064	Sterimol/L: 16.0265

Surface and Volume Properties
Accessible surface: 558.696	Positive charged surface: 268.067	Negative charged surface: 290.629	Volume: 310.25
Hydrophobic surface: 467.007	Hydrophilic surface: 91.689

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.