MMsINC Database Search


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MMsINC code: MMs01505548

Type: Neutral
Formula: C₁₉H₁₇FN₂O₂S

SMILES:

s1c(C)c(nc1NC(=O)Cc1ccccc1F)-c1ccc(OC)cc1

InChI:

InChI=1/C19H17FN2O2S/c1-12-18(13-7-9-15(24-2)10-8-13)22-19(25-12)21-17(23)11-14-5-3-4-6-16(14)20/h3-10H,11H2,1-2H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2842 kcal/mol

Physical Properties
Molecular Weight: 356.421 g/mol	logS: -5.94164	SlogP: 4.44739	Reactive groups: 0

Topological Properties
Globularity: 0.0333025	Sterimol/B1: 2.2081	Sterimol/B2: 3.16226	Sterimol/B3: 4.30048
Sterimol/B4: 6.7644	Sterimol/L: 20.5101

Surface and Volume Properties
Accessible surface: 612.914	Positive charged surface: 366.894	Negative charged surface: 246.02	Volume: 325.5
Hydrophobic surface: 543.478	Hydrophilic surface: 69.436

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.