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MMsINC code: MMs01019302

Type: Neutral
Formula: C₁₈H₁₃Cl₂FN₂O₂S

SMILES:

Clc1cc(NC(=O)CSC2=CC(=O)N(c3c2ccc(Cl)c3)C)ccc1F

InChI:

InChI=1/C18H13Cl2FN2O2S/c1-23-15-6-10(19)2-4-12(15)16(8-18(23)25)26-9-17(24)22-11-3-5-14(21)13(20)7-11/h2-8H,9H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7401 kcal/mol

Physical Properties
Molecular Weight: 411.284 g/mol	logS: -6.92662	SlogP: 4.8217	Reactive groups: 0

Topological Properties
Globularity: 0.0114109	Sterimol/B1: 2.5876	Sterimol/B2: 2.85399	Sterimol/B3: 3.51308
Sterimol/B4: 7.45799	Sterimol/L: 19.2522

Surface and Volume Properties
Accessible surface: 618.108	Positive charged surface: 275.288	Negative charged surface: 342.82	Volume: 337.875
Hydrophobic surface: 504.479	Hydrophilic surface: 113.629

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.