MMsINC Database Search


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MMsINC code: MMs01351982

Type: Neutral
Formula: C₂₄H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)-c1nn(cc1COC(=O)c1ccc(OC)cc1)-c1ccccc1

InChI:

InChI=1/C24H19FN2O3/c1-29-22-13-9-18(10-14-22)24(28)30-16-19-15-27(21-5-3-2-4-6-21)26-23(19)17-7-11-20(25)12-8-17/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.042 kcal/mol

Physical Properties
Molecular Weight: 402.425 g/mol	logS: -6.42896	SlogP: 5.3104	Reactive groups: 0

Topological Properties
Globularity: 0.0124883	Sterimol/B1: 2.69789	Sterimol/B2: 2.84943	Sterimol/B3: 7.32615
Sterimol/B4: 7.72434	Sterimol/L: 18.0772

Surface and Volume Properties
Accessible surface: 694.087	Positive charged surface: 371.771	Negative charged surface: 322.316	Volume: 378.75
Hydrophobic surface: 611.717	Hydrophilic surface: 82.37

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.