MMsINC Database Search


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MMsINC code: MMs00158093

Type: Neutral
Formula: C₂₃H₂₀FN₃O₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1nc2c(n1CCOc1ccc(OC)cc1)cccc2

InChI:

InChI=1/C23H20FN3O3/c1-29-18-10-12-19(13-11-18)30-15-14-27-21-5-3-2-4-20(21)25-23(27)26-22(28)16-6-8-17(24)9-7-16/h2-13H,14-15H2,1H3,(H,25,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5351 kcal/mol

Physical Properties
Molecular Weight: 405.429 g/mol	logS: -6.4604	SlogP: 4.7817	Reactive groups: 0

Topological Properties
Globularity: 0.115765	Sterimol/B1: 1.969	Sterimol/B2: 5.87428	Sterimol/B3: 6.48155
Sterimol/B4: 9.80453	Sterimol/L: 16.6581

Surface and Volume Properties
Accessible surface: 693.952	Positive charged surface: 407.703	Negative charged surface: 286.248	Volume: 377.5
Hydrophobic surface: 616.973	Hydrophilic surface: 76.979

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.