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MMsINC code: MMs00056265

Type: Neutral
Formula: C₁₅H₁₄FNO₄S

SMILES:

S(=O)(=O)(NC(Cc1ccccc1)C(O)=O)c1ccc(F)cc1

InChI:

InChI=1/C15H14FNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.9041 kcal/mol

Physical Properties
Molecular Weight: 323.344 g/mol	logS: -3.34305	SlogP: 1.79987	Reactive groups: 0

Topological Properties
Globularity: 0.138577	Sterimol/B1: 2.9139	Sterimol/B2: 3.80391	Sterimol/B3: 4.45633
Sterimol/B4: 5.65409	Sterimol/L: 14.8058

Surface and Volume Properties
Accessible surface: 505.215	Positive charged surface: 250.989	Negative charged surface: 254.226	Volume: 274.75
Hydrophobic surface: 375.54	Hydrophilic surface: 129.675

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00056266
APOLLO-ZINC03883167