MMsINC Database Search


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MMsINC code: MMs01022617

Type: Neutral
Formula: C₂₀H₂₀F₂N₂O

SMILES:

Fc1cc(F)ccc1NC(=O)CCCc1c2c(n(c1)CC)cccc2

InChI:

InChI=1/C20H20F2N2O/c1-2-24-13-14(16-7-3-4-8-19(16)24)6-5-9-20(25)23-18-11-10-15(21)12-17(18)22/h3-4,7-8,10-13H,2,5-6,9H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0559 kcal/mol

Physical Properties
Molecular Weight: 342.389 g/mol	logS: -4.60111	SlogP: 5.16717	Reactive groups: 0

Topological Properties
Globularity: 0.0744322	Sterimol/B1: 2.32264	Sterimol/B2: 3.79038	Sterimol/B3: 4.38147
Sterimol/B4: 7.61141	Sterimol/L: 18.333

Surface and Volume Properties
Accessible surface: 610.696	Positive charged surface: 365.033	Negative charged surface: 241.312	Volume: 328.125
Hydrophobic surface: 539.336	Hydrophilic surface: 71.36

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.