MMsINC Database Search


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MMsINC code: MMs00212304

Type: Neutral
Formula: C₁₈H₁₉FN₂O₄S

SMILES:

S(=O)(=O)(N1CCN(CC1)C(=O)COc1ccccc1)c1ccc(F)cc1

InChI:

InChI=1/C18H19FN2O4S/c19-15-6-8-17(9-7-15)26(23,24)21-12-10-20(11-13-21)18(22)14-25-16-4-2-1-3-5-16/h1-9H,10-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8678 kcal/mol

Physical Properties
Molecular Weight: 378.424 g/mol	logS: -3.65356	SlogP: 1.7376	Reactive groups: 0

Topological Properties
Globularity: 0.0635845	Sterimol/B1: 3.39329	Sterimol/B2: 3.51662	Sterimol/B3: 4.56647
Sterimol/B4: 6.36381	Sterimol/L: 18.182

Surface and Volume Properties
Accessible surface: 612.349	Positive charged surface: 341.633	Negative charged surface: 270.717	Volume: 331.375
Hydrophobic surface: 515.907	Hydrophilic surface: 96.442

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.