MMsINC Database Search


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MMsINC code: MMs01321486

Type: Neutral
Formula: C₁₈H₁₂ClF₂NOS

SMILES:

Clc1c2c(cccc2SCC(=O)Nc2cc(F)c(F)cc2)ccc1

InChI:

InChI=1/C18H12ClF2NOS/c19-13-5-1-3-11-4-2-6-16(18(11)13)24-10-17(23)22-12-7-8-14(20)15(21)9-12/h1-9H,10H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.361 kcal/mol

Physical Properties
Molecular Weight: 363.815 g/mol	logS: -7.60484	SlogP: 5.5022	Reactive groups: 0

Topological Properties
Globularity: 0.0105954	Sterimol/B1: 2.48222	Sterimol/B2: 2.55977	Sterimol/B3: 2.92127
Sterimol/B4: 7.34204	Sterimol/L: 17.88

Surface and Volume Properties
Accessible surface: 562.029	Positive charged surface: 256.387	Negative charged surface: 294.571	Volume: 303
Hydrophobic surface: 506.473	Hydrophilic surface: 55.556

Pharmacophoric Properties
Hydrogen bond donors: 1	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.