MMsINC Database Search


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

MMsINC code: MMs01024697

Type: Neutral
Formula: C₂₄H₂₀F₂N₂O₂

SMILES:

Fc1cc(ccc1)Cn1c2c(cccc2)c(CNCc2ccc(F)cc2)c1C(O)=O

InChI:

InChI=1/C24H20F2N2O2/c25-18-10-8-16(9-11-18)13-27-14-21-20-6-1-2-7-22(20)28(23(21)24(29)30)15-17-4-3-5-19(26)12-17/h1-12,27H,13-15H2,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8947 kcal/mol

Physical Properties
Molecular Weight: 406.432 g/mol	logS: -5.55737	SlogP: 5.755	Reactive groups: 0

Topological Properties
Globularity: 0.0686367	Sterimol/B1: 2.46777	Sterimol/B2: 3.39553	Sterimol/B3: 4.14048
Sterimol/B4: 9.05311	Sterimol/L: 18.2115

Surface and Volume Properties
Accessible surface: 656.706	Positive charged surface: 349.757	Negative charged surface: 302.234	Volume: 379.25
Hydrophobic surface: 559.755	Hydrophilic surface: 96.951

Pharmacophoric Properties
Hydrogen bond donors: 3	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.