MMsINC Database Search


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MMsINC code: MMs01014856

Type: Neutral
Formula: C₂₀H₂₀FN₃O₂

SMILES:

Fc1ccc(cc1)Cn1cccc1CNC(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C20H20FN3O2/c1-26-19-10-8-17(9-11-19)23-20(25)22-13-18-3-2-12-24(18)14-15-4-6-16(21)7-5-15/h2-12H,13-14H2,1H3,(H2,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8647 kcal/mol

Physical Properties
Molecular Weight: 353.397 g/mol	logS: -3.7995	SlogP: 4.5386	Reactive groups: 0

Topological Properties
Globularity: 0.0695414	Sterimol/B1: 3.3225	Sterimol/B2: 4.26252	Sterimol/B3: 5.04652
Sterimol/B4: 5.99642	Sterimol/L: 17.6919

Surface and Volume Properties
Accessible surface: 602.399	Positive charged surface: 362.43	Negative charged surface: 239.968	Volume: 339.75
Hydrophobic surface: 514.777	Hydrophilic surface: 87.622

Pharmacophoric Properties
Hydrogen bond donors: 2	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.