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MMsINC code: MMs03784447

Type: Neutral
Formula: C₁₉H₁₈Cl₂FNOS

SMILES:

Clc1cc(cc(Cl)c1OCc1ccccc1F)C(=S)N1CCCCC1

InChI:

InChI=1/C19H18Cl2FNOS/c20-15-10-14(19(25)23-8-4-1-5-9-23)11-16(21)18(15)24-12-13-6-2-3-7-17(13)22/h2-3,6-7,10-11H,1,4-5,8-9,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.32 kcal/mol

Physical Properties
Molecular Weight: 398.329 g/mol	logS: -7.23291	SlogP: 6.1393	Reactive groups: 0

Topological Properties
Globularity: 0.0475873	Sterimol/B1: 3.84526	Sterimol/B2: 4.79014	Sterimol/B3: 4.83941
Sterimol/B4: 4.90442	Sterimol/L: 18.4164

Surface and Volume Properties
Accessible surface: 624.042	Positive charged surface: 305.933	Negative charged surface: 318.109	Volume: 347.75
Hydrophobic surface: 561.502	Hydrophilic surface: 62.54

Pharmacophoric Properties
Hydrogen bond donors: 0	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.