MMsINC Database Search


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MMsINC code: MMs02148071

Type: Neutral
Formula: C₂₁H₁₉FN₂O₃

SMILES:

Fc1cccc(Oc2ccc(OC)cc2)c1CNC(=O)Nc1ccccc1

InChI:

InChI=1/C21H19FN2O3/c1-26-16-10-12-17(13-11-16)27-20-9-5-8-19(22)18(20)14-23-21(25)24-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5493 kcal/mol

Physical Properties
Molecular Weight: 366.392 g/mol	logS: -5.32416	SlogP: 5.2147	Reactive groups: 0

Topological Properties
Globularity: 0.0823999	Sterimol/B1: 2.08877	Sterimol/B2: 2.86096	Sterimol/B3: 5.36873
Sterimol/B4: 9.75763	Sterimol/L: 18.1884

Surface and Volume Properties
Accessible surface: 657.806	Positive charged surface: 402.28	Negative charged surface: 255.526	Volume: 346.5
Hydrophobic surface: 580.691	Hydrophilic surface: 77.115

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.