MMsINC Database Search


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MMsINC code: MMs01723621

Type: Neutral
Formula: C₁₆H₁₆F₂N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccc(cc1)C)C)c1ccc(F)cc1F

InChI:

InChI=1/C16H16F2N2O3S/c1-11-3-6-13(7-4-11)19-16(21)10-20(2)24(22,23)15-8-5-12(17)9-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9015 kcal/mol

Physical Properties
Molecular Weight: 354.377 g/mol	logS: -4.35875	SlogP: 2.53242	Reactive groups: 0

Topological Properties
Globularity: 0.116997	Sterimol/B1: 3.11691	Sterimol/B2: 4.47833	Sterimol/B3: 5.15092
Sterimol/B4: 5.9005	Sterimol/L: 14.5947

Surface and Volume Properties
Accessible surface: 546.115	Positive charged surface: 316.209	Negative charged surface: 229.906	Volume: 299.875
Hydrophobic surface: 459.115	Hydrophilic surface: 87

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.