MMsINC Database Search


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MMsINC code: MMs02749941

Type: Neutral
Formula: C₁₈H₂₃FN₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1)c1ccc(F)cc1

InChI:

InChI=1/C18H23FN2O4S2/c1-3-13-21(14-4-2)27(24,25)18-11-7-16(8-12-18)20-26(22,23)17-9-5-15(19)6-10-17/h5-12,20H,3-4,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.3909 kcal/mol

Physical Properties
Molecular Weight: 414.522 g/mol	logS: -4.31322	SlogP: 3.4372	Reactive groups: 0

Topological Properties
Globularity: 0.104031	Sterimol/B1: 2.21369	Sterimol/B2: 4.29951	Sterimol/B3: 4.45938
Sterimol/B4: 8.42107	Sterimol/L: 16.3128

Surface and Volume Properties
Accessible surface: 644.028	Positive charged surface: 357.328	Negative charged surface: 286.701	Volume: 362.875
Hydrophobic surface: 466.091	Hydrophilic surface: 177.937

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.