MMsINC Database Search


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MMsINC code: MMs02985696

Type: Neutral
Formula: C₁₈H₂₆F₂N₂O₃S

SMILES:

S(=O)(=O)(N1CCCCCC1)c1ccc(F)c(C(=O)NCCC(C)C)c1F

InChI:

InChI=1/C18H26F2N2O3S/c1-13(2)9-10-21-18(23)16-14(19)7-8-15(17(16)20)26(24,25)22-11-5-3-4-6-12-22/h7-8,13H,3-6,9-12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.455 kcal/mol

Physical Properties
Molecular Weight: 388.479 g/mol	logS: -4.54987	SlogP: 3.3054	Reactive groups: 0

Topological Properties
Globularity: 0.0732019	Sterimol/B1: 3.12402	Sterimol/B2: 3.40281	Sterimol/B3: 4.7433
Sterimol/B4: 8.29901	Sterimol/L: 16.8945

Surface and Volume Properties
Accessible surface: 638.603	Positive charged surface: 408.475	Negative charged surface: 230.129	Volume: 348.75
Hydrophobic surface: 506.021	Hydrophilic surface: 132.582

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.