MMsINC Database Search


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MMsINC code: MMs02362905

Type: Neutral
Formula: C₁₆H₁₅FN₂O₃S

SMILES:

S=C(Nc1cc(OC)ccc1OC)NC(=O)c1ccccc1F

InChI:

InChI=1/C16H15FN2O3S/c1-21-10-7-8-14(22-2)13(9-10)18-16(23)19-15(20)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H2,18,19,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.648 kcal/mol

Physical Properties
Molecular Weight: 334.371 g/mol	logS: -5.2141	SlogP: 2.9697	Reactive groups: 0

Topological Properties
Globularity: 0.0267534	Sterimol/B1: 2.54234	Sterimol/B2: 2.58009	Sterimol/B3: 3.78738
Sterimol/B4: 8.86428	Sterimol/L: 16.8161

Surface and Volume Properties
Accessible surface: 565.133	Positive charged surface: 360.308	Negative charged surface: 204.825	Volume: 294.75
Hydrophobic surface: 447.175	Hydrophilic surface: 117.958

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.