MMsINC Database Search


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MMsINC code: MMs02880087

Type: Neutral
Formula: C₁₅H₁₆FNO₄S

SMILES:

S(=O)(=O)(NCCOc1ccccc1)c1cc(F)c(OC)cc1

InChI:

InChI=1/C15H16FNO4S/c1-20-15-8-7-13(11-14(15)16)22(18,19)17-9-10-21-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.0867 kcal/mol

Physical Properties
Molecular Weight: 325.36 g/mol	logS: -3.41294	SlogP: 2.1916	Reactive groups: 0

Topological Properties
Globularity: 0.067061	Sterimol/B1: 2.55594	Sterimol/B2: 3.4312	Sterimol/B3: 5.18192
Sterimol/B4: 7.43199	Sterimol/L: 16.9666

Surface and Volume Properties
Accessible surface: 562.295	Positive charged surface: 330.734	Negative charged surface: 231.56	Volume: 284.5
Hydrophobic surface: 469.697	Hydrophilic surface: 92.598

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.