MMsINC Database Search


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MMsINC code: MMs03136542

Type: Neutral
Formula: C₂₀H₂₄FNO₄S

SMILES:

S(Oc1cc(ccc1)CN(C(C)C)C(=O)Cc1ccc(F)cc1)(=O)(=O)CC

InChI:

InChI=1/C20H24FNO4S/c1-4-27(24,25)26-19-7-5-6-17(12-19)14-22(15(2)3)20(23)13-16-8-10-18(21)11-9-16/h5-12,15H,4,13-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3153 kcal/mol

Physical Properties
Molecular Weight: 393.479 g/mol	logS: -4.80447	SlogP: 3.80027	Reactive groups: 1

Topological Properties
Globularity: 0.072345	Sterimol/B1: 2.64504	Sterimol/B2: 4.87647	Sterimol/B3: 5.53731
Sterimol/B4: 5.57398	Sterimol/L: 17.9457

Surface and Volume Properties
Accessible surface: 635.232	Positive charged surface: 355.734	Negative charged surface: 279.498	Volume: 360.375
Hydrophobic surface: 485.226	Hydrophilic surface: 150.006

Pharmacophoric Properties
Hydrogen bond donors: 0	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.