MMsINC Database Search


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MMsINC code: MMs01621641

Type: Neutral
Formula: C₁₆H₁₆FN₃O₄S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NNC(=O)c1ccc(F)cc1

InChI:

InChI=1/C16H16FN3O4S/c1-20(2)25(23,24)14-9-5-12(6-10-14)16(22)19-18-15(21)11-3-7-13(17)8-4-11/h3-10H,1-2H3,(H,18,21)(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3755 kcal/mol

Physical Properties
Molecular Weight: 365.385 g/mol	logS: -3.79194	SlogP: 1.1508	Reactive groups: 0

Topological Properties
Globularity: 0.026019	Sterimol/B1: 2.22426	Sterimol/B2: 2.81538	Sterimol/B3: 4.54848
Sterimol/B4: 6.05984	Sterimol/L: 19.6782

Surface and Volume Properties
Accessible surface: 599.352	Positive charged surface: 327.913	Negative charged surface: 271.439	Volume: 311.5
Hydrophobic surface: 448.163	Hydrophilic surface: 151.189

Pharmacophoric Properties
Hydrogen bond donors: 2	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.