MMsINC Database Search


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MMsINC code: MMs00251690

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃S

SMILES:

S1CC(CC1=O)C(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1

InChI:

InChI=1/C19H23FN2O3S/c20-14-6-8-16(9-7-14)22(19(25)13-10-18(24)26-12-13)11-17(23)21-15-4-2-1-3-5-15/h6-9,13,15H,1-5,10-12H2,(H,21,23)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4487 kcal/mol

Physical Properties
Molecular Weight: 378.468 g/mol	logS: -4.5861	SlogP: 2.8873	Reactive groups: 0

Topological Properties
Globularity: 0.0860289	Sterimol/B1: 3.02914	Sterimol/B2: 3.67581	Sterimol/B3: 3.9994
Sterimol/B4: 10.1924	Sterimol/L: 15.0253

Surface and Volume Properties
Accessible surface: 604.913	Positive charged surface: 357.681	Negative charged surface: 247.232	Volume: 343.625
Hydrophobic surface: 456.76	Hydrophilic surface: 148.153

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.