MMsINC Database Search


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MMsINC code: MMs02058471

Type: Neutral
Formula: C₁₇H₁₄FNO₄S₂

SMILES:

s1cccc1S(=O)(=O)C(CNC(=O)c1ccc(F)cc1)c1occc1

InChI:

InChI=1/C17H14FNO4S2/c18-13-7-5-12(6-8-13)17(20)19-11-15(14-3-1-9-23-14)25(21,22)16-4-2-10-24-16/h1-10,15H,11H2,(H,19,20)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1948 kcal/mol

Physical Properties
Molecular Weight: 379.432 g/mol	logS: -5.2455	SlogP: 3.5207	Reactive groups: 0

Topological Properties
Globularity: 0.0444987	Sterimol/B1: 2.49688	Sterimol/B2: 2.92969	Sterimol/B3: 4.83877
Sterimol/B4: 8.07461	Sterimol/L: 16.0719

Surface and Volume Properties
Accessible surface: 580.976	Positive charged surface: 264.773	Negative charged surface: 316.203	Volume: 317.375
Hydrophobic surface: 495.443	Hydrophilic surface: 85.533

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.