MMsINC Database Search


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MMsINC code: MMs01669973

Type: Neutral
Formula: C₂₄H₂₂F₂N₂O₂

SMILES:

Fc1cccc(F)c1NC(=O)CN(C(=O)C(c1ccccc1)c1ccccc1)CC

InChI:

InChI=1/C24H22F2N2O2/c1-2-28(16-21(29)27-23-19(25)14-9-15-20(23)26)24(30)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-15,22H,2,16H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.963 kcal/mol

Physical Properties
Molecular Weight: 408.448 g/mol	logS: -6.04255	SlogP: 4.5839	Reactive groups: 0

Topological Properties
Globularity: 0.300891	Sterimol/B1: 2.14724	Sterimol/B2: 2.61479	Sterimol/B3: 8.08575
Sterimol/B4: 10.0954	Sterimol/L: 15.4545

Surface and Volume Properties
Accessible surface: 664.027	Positive charged surface: 369.959	Negative charged surface: 294.069	Volume: 384.875
Hydrophobic surface: 598.973	Hydrophilic surface: 65.054

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.