MMsINC Database Search


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MMsINC code: MMs01495604

Type: Neutral
Formula: C₁₆H₁₁F₂NO₃S

SMILES:

s1c2c(nc1COC(=O)c1ccccc1OC(F)F)cccc2

InChI:

InChI=1/C16H11F2NO3S/c17-16(18)22-12-7-3-1-5-10(12)15(20)21-9-14-19-11-6-2-4-8-13(11)23-14/h1-8,16H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4195 kcal/mol

Physical Properties
Molecular Weight: 335.33 g/mol	logS: -4.18569	SlogP: 4.941	Reactive groups: 0

Topological Properties
Globularity: 0.0426011	Sterimol/B1: 2.51924	Sterimol/B2: 3.82594	Sterimol/B3: 4.07144
Sterimol/B4: 6.75211	Sterimol/L: 16.8439

Surface and Volume Properties
Accessible surface: 554.152	Positive charged surface: 276.587	Negative charged surface: 277.565	Volume: 280.75
Hydrophobic surface: 412.7	Hydrophilic surface: 141.452

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.