MMsINC Database Search


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MMsINC code: MMs01680063

Type: Neutral
Formula: C₁₉H₁₆FN₃O₄

SMILES:

Fc1ccc(NC(=O)CN2C(=O)C3(NC2=O)CCOc2c3cccc2)cc1

InChI:

InChI=1/C19H16FN3O4/c20-12-5-7-13(8-6-12)21-16(24)11-23-17(25)19(22-18(23)26)9-10-27-15-4-2-1-3-14(15)19/h1-8H,9-11H2,(H,21,24)(H,22,26)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5421 kcal/mol

Physical Properties
Molecular Weight: 369.352 g/mol	logS: -4.49479	SlogP: 2.3055	Reactive groups: 0

Topological Properties
Globularity: 0.0989355	Sterimol/B1: 3.03626	Sterimol/B2: 3.85241	Sterimol/B3: 4.26199
Sterimol/B4: 7.49965	Sterimol/L: 14.9944

Surface and Volume Properties
Accessible surface: 579.836	Positive charged surface: 335.794	Negative charged surface: 244.042	Volume: 322.875
Hydrophobic surface: 449.656	Hydrophilic surface: 130.18

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