MMsINC Database Search


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MMsINC code: MMs02159210

Type: Neutral
Formula: C₁₈H₁₉FS₂

SMILES:

S1Cc2cc(C)c(cc2CSC1(C)c1ccc(F)cc1)C

InChI:

InChI=1/C18H19FS2/c1-12-8-14-10-20-18(3,16-4-6-17(19)7-5-16)21-11-15(14)9-13(12)2/h4-9H,10-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2851 kcal/mol

Physical Properties
Molecular Weight: 318.48 g/mol	logS: -6.85849	SlogP: 6.63974	Reactive groups: 0

Topological Properties
Globularity: 0.139057	Sterimol/B1: 2.45146	Sterimol/B2: 2.92879	Sterimol/B3: 5.10971
Sterimol/B4: 5.52552	Sterimol/L: 15.2147

Surface and Volume Properties
Accessible surface: 528.293	Positive charged surface: 293.339	Negative charged surface: 234.954	Volume: 303.25
Hydrophobic surface: 449.679	Hydrophilic surface: 78.614

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.