MMsINC Database Search


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MMsINC code: MMs01173018

Type: Neutral
Formula: C₂₁H₂₀F₂N₂O

SMILES:

Fc1cc(ccc1F)Cn1c(C(=O)Nc2ccc(cc2)C)c(cc1C)C

InChI:

InChI=1/C21H20F2N2O/c1-13-4-7-17(8-5-13)24-21(26)20-14(2)10-15(3)25(20)12-16-6-9-18(22)19(23)11-16/h4-11H,12H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3108 kcal/mol

Physical Properties
Molecular Weight: 354.4 g/mol	logS: -5.15066	SlogP: 5.25856	Reactive groups: 0

Topological Properties
Globularity: 0.133797	Sterimol/B1: 3.83144	Sterimol/B2: 3.98697	Sterimol/B3: 5.79542
Sterimol/B4: 6.5237	Sterimol/L: 15.5078

Surface and Volume Properties
Accessible surface: 599.749	Positive charged surface: 327.536	Negative charged surface: 272.213	Volume: 339.75
Hydrophobic surface: 558.79	Hydrophilic surface: 40.959

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.