MMsINC Database Search


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MMsINC code: MMs01511969

Type: Neutral
Formula: C₁₉H₂₇FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(C(=O)NC2CCCCCCC2)c(F)cc1

InChI:

InChI=1/C19H27FN2O4S/c20-18-9-8-16(27(24,25)22-10-12-26-13-11-22)14-17(18)19(23)21-15-6-4-2-1-3-5-7-15/h8-9,14-15H,1-7,10-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.288 kcal/mol

Physical Properties
Molecular Weight: 398.499 g/mol	logS: -4.53261	SlogP: 2.6893	Reactive groups: 0

Topological Properties
Globularity: 0.058697	Sterimol/B1: 3.23526	Sterimol/B2: 3.36292	Sterimol/B3: 4.0952
Sterimol/B4: 8.08142	Sterimol/L: 17.3879

Surface and Volume Properties
Accessible surface: 629.509	Positive charged surface: 428.125	Negative charged surface: 201.384	Volume: 356.75
Hydrophobic surface: 533.211	Hydrophilic surface: 96.298

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.