MMsINC Database Search


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MMsINC code: MMs00180303

Type: Neutral
Formula: C₁₉H₂₀FN₃O₃

SMILES:

Fc1ccc(cc1)-c1n(C)c(nc1)NCc1cc(OC)c(O)c(OC)c1

InChI:

InChI=1/C19H20FN3O3/c1-23-15(13-4-6-14(20)7-5-13)11-22-19(23)21-10-12-8-16(25-2)18(24)17(9-12)26-3/h4-9,11,24H,10H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2457 kcal/mol

Physical Properties
Molecular Weight: 357.385 g/mol	logS: -4.47818	SlogP: 4.1867	Reactive groups: 0

Topological Properties
Globularity: 0.0762825	Sterimol/B1: 2.35373	Sterimol/B2: 5.77858	Sterimol/B3: 5.89173
Sterimol/B4: 6.04372	Sterimol/L: 18.4942

Surface and Volume Properties
Accessible surface: 625.17	Positive charged surface: 457.349	Negative charged surface: 167.821	Volume: 334.5
Hydrophobic surface: 520.827	Hydrophilic surface: 104.343

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.