MMsINC Database Search


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MMsINC code: MMs00978397

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₂S

SMILES:

S(CC(=O)Nc1ccc(F)cc1F)C1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C18H14F2N2O2S/c1-22-15-5-3-2-4-12(15)16(9-18(22)24)25-10-17(23)21-14-7-6-11(19)8-13(14)20/h2-9H,10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3341 kcal/mol

Physical Properties
Molecular Weight: 360.384 g/mol	logS: -5.75302	SlogP: 3.654	Reactive groups: 0

Topological Properties
Globularity: 0.0108113	Sterimol/B1: 2.56311	Sterimol/B2: 2.82757	Sterimol/B3: 2.8735
Sterimol/B4: 7.45275	Sterimol/L: 17.9493

Surface and Volume Properties
Accessible surface: 574.467	Positive charged surface: 306.144	Negative charged surface: 268.323	Volume: 309.625
Hydrophobic surface: 463.041	Hydrophilic surface: 111.426

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