MMsINC Database Search


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MMsINC code: MMs02942489

Type: Neutral
Formula: C₁₉H₂₀FN₃O₃

SMILES:

Fc1ccc(N2CCN(CC2)C(=O)Nc2ccccc2C(OC)=O)cc1

InChI:

InChI=1/C19H20FN3O3/c1-26-18(24)16-4-2-3-5-17(16)21-19(25)23-12-10-22(11-13-23)15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.741 kcal/mol

Physical Properties
Molecular Weight: 357.385 g/mol	logS: -3.8695	SlogP: 2.9664	Reactive groups: 0

Topological Properties
Globularity: 0.0412064	Sterimol/B1: 2.01362	Sterimol/B2: 3.25889	Sterimol/B3: 3.88369
Sterimol/B4: 8.89602	Sterimol/L: 17.627

Surface and Volume Properties
Accessible surface: 601.775	Positive charged surface: 404.7	Negative charged surface: 197.075	Volume: 332.625
Hydrophobic surface: 535.331	Hydrophilic surface: 66.444

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.