MMsINC Database Search


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MMsINC code: MMs00902924

Type: Neutral
Formula: C₁₈H₁₉FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C18H19FN2O4S/c1-13-3-2-4-15(11-13)20-18(22)14-5-6-16(19)17(12-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3484 kcal/mol

Physical Properties
Molecular Weight: 378.424 g/mol	logS: -4.32881	SlogP: 2.40732	Reactive groups: 0

Topological Properties
Globularity: 0.054675	Sterimol/B1: 2.4263	Sterimol/B2: 4.2857	Sterimol/B3: 5.03683
Sterimol/B4: 5.74106	Sterimol/L: 18.471

Surface and Volume Properties
Accessible surface: 601.694	Positive charged surface: 368.221	Negative charged surface: 233.472	Volume: 330.375
Hydrophobic surface: 496.658	Hydrophilic surface: 105.036

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.