MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01066151

Type: Neutral
Formula: C₂₅H₂₁FN₂O₃

SMILES:

Fc1ccc(NC(=O)c2ccc(cc2)-c2oc(C)c(n2)COc2ccc(cc2)C)cc1

InChI:

InChI=1/C25H21FN2O3/c1-16-3-13-22(14-4-16)30-15-23-17(2)31-25(28-23)19-7-5-18(6-8-19)24(29)27-21-11-9-20(26)10-12-21/h3-14H,15H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.819 kcal/mol

Physical Properties
Molecular Weight: 416.452 g/mol	logS: -7.90855	SlogP: 6.19524	Reactive groups: 0

Topological Properties
Globularity: 0.0177229	Sterimol/B1: 2.65736	Sterimol/B2: 3.37973	Sterimol/B3: 3.94325
Sterimol/B4: 8.19167	Sterimol/L: 24.034

Surface and Volume Properties
Accessible surface: 730.732	Positive charged surface: 401.7	Negative charged surface: 329.032	Volume: 394.125
Hydrophobic surface: 657.081	Hydrophilic surface: 73.651

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.