MMsINC Database Search


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MMsINC code: MMs01478584

Type: Neutral
Formula: C₁₄H₈Cl₂F₄N₂S

SMILES:

Clc1ccc(NC(=S)Nc2cc(Cl)c(F)cc2)cc1C(F)(F)F

InChI:

InChI=1/C14H8Cl2F4N2S/c15-10-3-1-7(5-9(10)14(18,19)20)21-13(23)22-8-2-4-12(17)11(16)6-8/h1-6H,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.771 kcal/mol

Physical Properties
Molecular Weight: 383.196 g/mol	logS: -7.2888	SlogP: 6.2717	Reactive groups: 0

Topological Properties
Globularity: 0.0711947	Sterimol/B1: 2.60895	Sterimol/B2: 3.74089	Sterimol/B3: 3.74228
Sterimol/B4: 4.58274	Sterimol/L: 16.5619

Surface and Volume Properties
Accessible surface: 536.032	Positive charged surface: 167.969	Negative charged surface: 368.063	Volume: 281.25
Hydrophobic surface: 359.366	Hydrophilic surface: 176.666

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.