MMsINC Database Search


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MMsINC code: MMs01462606

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C20H23FN2O3S/c1-15-10-12-23(13-11-15)27(25,26)19-8-4-17(5-9-19)20(24)22-14-16-2-6-18(21)7-3-16/h2-9,15H,10-14H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0653 kcal/mol

Physical Properties
Molecular Weight: 390.479 g/mol	logS: -4.77682	SlogP: 3.4427	Reactive groups: 0

Topological Properties
Globularity: 0.0486961	Sterimol/B1: 2.97799	Sterimol/B2: 3.19209	Sterimol/B3: 5.26879
Sterimol/B4: 6.51622	Sterimol/L: 19.1411

Surface and Volume Properties
Accessible surface: 654.569	Positive charged surface: 385.046	Negative charged surface: 269.523	Volume: 357.5
Hydrophobic surface: 534.664	Hydrophilic surface: 119.905

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.