MMsINC Database Search


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MMsINC code: MMs03659327

Type: Neutral
Formula: C₂₀H₁₁FO₅S

SMILES:

S(Oc1c2c(ccc1)C(=O)c1c(cccc1)C2=O)(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C20H11FO5S/c21-12-8-10-13(11-9-12)27(24,25)26-17-7-3-6-16-18(17)20(23)15-5-2-1-4-14(15)19(16)22/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.828 kcal/mol

Physical Properties
Molecular Weight: 382.367 g/mol	logS: -6.27731	SlogP: 3.3688	Reactive groups: 0

Topological Properties
Globularity: 0.153558	Sterimol/B1: 2.85565	Sterimol/B2: 3.57125	Sterimol/B3: 4.49212
Sterimol/B4: 7.41403	Sterimol/L: 12.2625

Surface and Volume Properties
Accessible surface: 502.072	Positive charged surface: 229.975	Negative charged surface: 272.097	Volume: 307.25
Hydrophobic surface: 387.441	Hydrophilic surface: 114.631

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.