MMsINC Database Search


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MMsINC code: MMs01573468

Type: Neutral
Formula: C₁₇H₁₈FNO₅S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(OCCOc1ccc(F)cc1)=O

InChI:

InChI=1/C17H18FNO5S/c1-19(2)25(21,22)16-9-3-13(4-10-16)17(20)24-12-11-23-15-7-5-14(18)6-8-15/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7693 kcal/mol

Physical Properties
Molecular Weight: 367.397 g/mol	logS: -3.81987	SlogP: 2.3118	Reactive groups: 0

Topological Properties
Globularity: 0.0428084	Sterimol/B1: 2.33396	Sterimol/B2: 3.26312	Sterimol/B3: 4.19047
Sterimol/B4: 7.80311	Sterimol/L: 18.1543

Surface and Volume Properties
Accessible surface: 621.877	Positive charged surface: 382.884	Negative charged surface: 238.993	Volume: 322.125
Hydrophobic surface: 525.619	Hydrophilic surface: 96.258

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.