MMsINC Database Search


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MMsINC code: MMs01445466

Type: Neutral
Formula: C₁₈H₁₉F₂NO₃S

SMILES:

S(=O)(=O)(C(F)F)c1ccc(cc1)C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C18H19F2NO3S/c1-13(7-8-14-5-3-2-4-6-14)21-17(22)15-9-11-16(12-10-15)25(23,24)18(19)20/h2-6,9-13,18H,7-8H2,1H3,(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.624 kcal/mol

Physical Properties
Molecular Weight: 367.416 g/mol	logS: -4.11392	SlogP: 3.85387	Reactive groups: 0

Topological Properties
Globularity: 0.0577457	Sterimol/B1: 2.15157	Sterimol/B2: 2.68366	Sterimol/B3: 4.45284
Sterimol/B4: 8.44692	Sterimol/L: 17.415

Surface and Volume Properties
Accessible surface: 609.356	Positive charged surface: 300.437	Negative charged surface: 308.919	Volume: 324.5
Hydrophobic surface: 424.051	Hydrophilic surface: 185.305

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.