MMsINC Database Search


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MMsINC code: MMs00494588

Type: Neutral
Formula: C₁₉H₁₀F₂O₂S

SMILES:

S\1c2c(cccc2)C(=O)/C/1=C\c1oc(cc1)-c1ccc(F)cc1F

InChI:

InChI=1/C19H10F2O2S/c20-11-5-7-13(15(21)9-11)16-8-6-12(23-16)10-18-19(22)14-3-1-2-4-17(14)24-18/h1-10H/b18-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1618 kcal/mol

Physical Properties
Molecular Weight: 340.349 g/mol	logS: -7.3403	SlogP: 5.5543	Reactive groups: 1

Topological Properties
Globularity: 0.0259989	Sterimol/B1: 3.00114	Sterimol/B2: 3.28503	Sterimol/B3: 3.5875
Sterimol/B4: 6.83053	Sterimol/L: 16.0406

Surface and Volume Properties
Accessible surface: 558.387	Positive charged surface: 261.716	Negative charged surface: 296.671	Volume: 292.375
Hydrophobic surface: 490.378	Hydrophilic surface: 68.009

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.