MMsINC Database Search


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MMsINC code: MMs00876206

Type: Neutral
Formula: C₂₀H₁₄F₂N₂O₂S

SMILES:

s1cccc1C(=O)N1CC(=O)Nc2c(cc(F)cc2)C1c1ccc(F)cc1

InChI:

InChI=1/C20H14F2N2O2S/c21-13-5-3-12(4-6-13)19-15-10-14(22)7-8-16(15)23-18(25)11-24(19)20(26)17-2-1-9-27-17/h1-10,19H,11H2,(H,23,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.355 kcal/mol

Physical Properties
Molecular Weight: 384.406 g/mol	logS: -5.70838	SlogP: 4.3057	Reactive groups: 0

Topological Properties
Globularity: 0.474847	Sterimol/B1: 4.62574	Sterimol/B2: 5.17502	Sterimol/B3: 5.47598
Sterimol/B4: 6.5192	Sterimol/L: 12.7347

Surface and Volume Properties
Accessible surface: 549.524	Positive charged surface: 251.42	Negative charged surface: 298.104	Volume: 323.5
Hydrophobic surface: 450.52	Hydrophilic surface: 99.004

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.