MMsINC Database Search


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MMsINC code: MMs02611477

Type: Neutral
Formula: C₂₀H₁₃F₂NOS

SMILES:

s1c2c(cc1C=1C=CC(=O)N(C=1)Cc1ccc(F)cc1F)cccc2

InChI:

InChI=1/C20H13F2NOS/c21-16-7-5-14(17(22)10-16)11-23-12-15(6-8-20(23)24)19-9-13-3-1-2-4-18(13)25-19/h1-10,12H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7093 kcal/mol

Physical Properties
Molecular Weight: 353.392 g/mol	logS: -6.37305	SlogP: 5.3854	Reactive groups: 0

Topological Properties
Globularity: 0.100036	Sterimol/B1: 3.00866	Sterimol/B2: 4.04082	Sterimol/B3: 4.78274
Sterimol/B4: 6.54161	Sterimol/L: 15.9085

Surface and Volume Properties
Accessible surface: 574.14	Positive charged surface: 272.352	Negative charged surface: 296.253	Volume: 314.625
Hydrophobic surface: 541.025	Hydrophilic surface: 33.115

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.