MMsINC Database Search


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MMsINC code: MMs01212306

Type: Neutral
Formula: C₁₉H₂₂FNO₄S

SMILES:

S(Oc1ccc(cc1)CN(Cc1ccc(F)cc1)C(=O)C)(=O)(=O)C(C)C

InChI:

InChI=1/C19H22FNO4S/c1-14(2)26(23,24)25-19-10-6-17(7-11-19)13-21(15(3)22)12-16-4-8-18(20)9-5-16/h4-11,14H,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0975 kcal/mol

Physical Properties
Molecular Weight: 379.452 g/mol	logS: -4.42315	SlogP: 4.0242	Reactive groups: 0

Topological Properties
Globularity: 0.0565845	Sterimol/B1: 2.13436	Sterimol/B2: 4.05515	Sterimol/B3: 5.04595
Sterimol/B4: 6.22836	Sterimol/L: 17.2521

Surface and Volume Properties
Accessible surface: 607.066	Positive charged surface: 323.297	Negative charged surface: 283.769	Volume: 343
Hydrophobic surface: 458.056	Hydrophilic surface: 149.01

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.