MMsINC Database Search


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MMsINC code: MMs01210988

Type: Neutral
Formula: C₂₁H₂₀F₂N₂O

SMILES:

Fc1ccccc1Cn1c(C(=O)Nc2cc(F)ccc2)c(C)c(C)c1C

InChI:

InChI=1/C21H20F2N2O/c1-13-14(2)20(21(26)24-18-9-6-8-17(22)11-18)25(15(13)3)12-16-7-4-5-10-19(16)23/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)=137.087 kcal/mol

Physical Properties
Molecular Weight: 354.4 g/mol	logS: -4.83721	SlogP: 5.25856	Reactive groups: 0

Topological Properties
Globularity: 0.0967941	Sterimol/B1: 3.14946	Sterimol/B2: 3.73584	Sterimol/B3: 4.11714
Sterimol/B4: 7.99634	Sterimol/L: 14.7542

Surface and Volume Properties
Accessible surface: 561.512	Positive charged surface: 302.193	Negative charged surface: 259.319	Volume: 333
Hydrophobic surface: 524.922	Hydrophilic surface: 36.59

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.