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MMsINC code: MMs01524267

Type: Neutral
Formula: C₁₆H₁₇FN₂O₄S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)COc1cc(F)ccc1

InChI:

InChI=1/C16H17FN2O4S/c17-13-2-1-3-14(10-13)23-11-16(20)19-9-8-12-4-6-15(7-5-12)24(18,21)22/h1-7,10H,8-9,11H2,(H,19,20)(H2,18,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.316 kcal/mol

Physical Properties
Molecular Weight: 352.386 g/mol	logS: -3.95879	SlogP: 1.21077	Reactive groups: 0

Topological Properties
Globularity: 0.0264791	Sterimol/B1: 2.84567	Sterimol/B2: 3.61546	Sterimol/B3: 3.6224
Sterimol/B4: 5.12204	Sterimol/L: 21.2173

Surface and Volume Properties
Accessible surface: 609.67	Positive charged surface: 329.285	Negative charged surface: 280.385	Volume: 307
Hydrophobic surface: 418.668	Hydrophilic surface: 191.002

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01524268
ENAMINE-ZINC03611673