MMsINC Database Search


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MMsINC code: MMs02600354

Type: Neutral
Formula: C₁₉H₂₀FNO₃S

SMILES:

S(Cc1cc(ccc1)C(OC(C)C)=O)CC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C19H20FNO3S/c1-13(2)24-19(23)15-5-3-4-14(10-15)11-25-12-18(22)21-17-8-6-16(20)7-9-17/h3-10,13H,11-12H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.585 kcal/mol

Physical Properties
Molecular Weight: 361.437 g/mol	logS: -5.67788	SlogP: 4.5292	Reactive groups: 0

Topological Properties
Globularity: 0.032286	Sterimol/B1: 2.21675	Sterimol/B2: 3.57135	Sterimol/B3: 3.87227
Sterimol/B4: 7.44141	Sterimol/L: 21.107

Surface and Volume Properties
Accessible surface: 660.747	Positive charged surface: 385.311	Negative charged surface: 275.437	Volume: 340.25
Hydrophobic surface: 511.394	Hydrophilic surface: 149.353

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.