MMsINC Database Search


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MMsINC code: MMs01674949

Type: Neutral
Formula: C₁₉H₂₃FN₂O₄S

SMILES:

S(=O)(=O)(N(CCC)CC(=O)NCc1ccc(OC)cc1)c1ccc(F)cc1

InChI:

InChI=1/C19H23FN2O4S/c1-3-12-22(27(24,25)18-10-6-16(20)7-11-18)14-19(23)21-13-15-4-8-17(26-2)9-5-15/h4-11H,3,12-14H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5839 kcal/mol

Physical Properties
Molecular Weight: 394.467 g/mol	logS: -4.11325	SlogP: 2.8178	Reactive groups: 0

Topological Properties
Globularity: 0.0570978	Sterimol/B1: 2.233	Sterimol/B2: 2.39951	Sterimol/B3: 5.47894
Sterimol/B4: 9.01491	Sterimol/L: 19.1675

Surface and Volume Properties
Accessible surface: 661.792	Positive charged surface: 407.08	Negative charged surface: 254.712	Volume: 361.5
Hydrophobic surface: 528.881	Hydrophilic surface: 132.911

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.