MMsINC Database Search


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MMsINC code: MMs00236143

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃S

SMILES:

S1CC(CC1=O)C(=O)N(Cc1ccc(F)cc1)CC(=O)NC1CCCC1

InChI:

InChI=1/C19H23FN2O3S/c20-15-7-5-13(6-8-15)10-22(19(25)14-9-18(24)26-12-14)11-17(23)21-16-3-1-2-4-16/h5-8,14,16H,1-4,9-12H2,(H,21,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5558 kcal/mol

Physical Properties
Molecular Weight: 378.468 g/mol	logS: -4.01492	SlogP: 2.7592	Reactive groups: 0

Topological Properties
Globularity: 0.0958127	Sterimol/B1: 3.11781	Sterimol/B2: 4.5308	Sterimol/B3: 5.10912
Sterimol/B4: 8.56849	Sterimol/L: 15.842

Surface and Volume Properties
Accessible surface: 624.929	Positive charged surface: 366.073	Negative charged surface: 258.857	Volume: 349.5
Hydrophobic surface: 465.423	Hydrophilic surface: 159.506

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.