MMsINC Database Search


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MMsINC code: MMs02082348

Type: Neutral
Formula: C₁₆H₁₆F₂N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(N2S(=O)(=O)CCCC2)cc1)c1cc(F)ccc1F

InChI:

InChI=1/C16H16F2N2O4S2/c17-12-3-8-15(18)16(11-12)26(23,24)19-13-4-6-14(7-5-13)20-9-1-2-10-25(20,21)22/h3-8,11,19H,1-2,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2364 kcal/mol

Physical Properties
Molecular Weight: 402.442 g/mol	logS: -4.10262	SlogP: 2.6956	Reactive groups: 0

Topological Properties
Globularity: 0.15754	Sterimol/B1: 2.55725	Sterimol/B2: 2.70953	Sterimol/B3: 5.39882
Sterimol/B4: 6.90803	Sterimol/L: 14.0138

Surface and Volume Properties
Accessible surface: 564.638	Positive charged surface: 285.808	Negative charged surface: 278.83	Volume: 318
Hydrophobic surface: 431.574	Hydrophilic surface: 133.064

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.