MMsINC Database Search


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MMsINC code: MMs00863493

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃S

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.5867 kcal/mol

Physical Properties
Molecular Weight: 390.479 g/mol	logS: -4.31667	SlogP: 3.11762	Reactive groups: 0

Topological Properties
Globularity: 0.0925241	Sterimol/B1: 3.6342	Sterimol/B2: 4.39605	Sterimol/B3: 5.16467
Sterimol/B4: 5.86345	Sterimol/L: 17.584

Surface and Volume Properties
Accessible surface: 650.581	Positive charged surface: 377.758	Negative charged surface: 272.823	Volume: 357.125
Hydrophobic surface: 548.635	Hydrophilic surface: 101.946

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.