MMsINC Database Search


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MMsINC code: MMs01453308

Type: Neutral
Formula: C₁₉H₁₆FN₃O₄

SMILES:

Fc1ccc(-n2nc(-c3cc(OC)ccc3)c(c2)C(OCC(=O)N)=O)cc1

InChI:

InChI=1/C19H16FN3O4/c1-26-15-4-2-3-12(9-15)18-16(19(25)27-11-17(21)24)10-23(22-18)14-7-5-13(20)6-8-14/h2-10H,11H2,1H3,(H2,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2294 kcal/mol

Physical Properties
Molecular Weight: 369.352 g/mol	logS: -4.93962	SlogP: 2.3291	Reactive groups: 0

Topological Properties
Globularity: 0.0253579	Sterimol/B1: 1.98766	Sterimol/B2: 3.80687	Sterimol/B3: 4.66868
Sterimol/B4: 10.8121	Sterimol/L: 15.8042

Surface and Volume Properties
Accessible surface: 634.456	Positive charged surface: 369.938	Negative charged surface: 264.519	Volume: 329.75
Hydrophobic surface: 454.901	Hydrophilic surface: 179.555

Pharmacophoric Properties
Hydrogen bond donors: 1	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.