MMsINC Database Search


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MMsINC code: MMs00515619

Type: Neutral
Formula: C₂₀H₂₀F₂N₂O₂

SMILES:

Fc1cc(ccc1N1CCN(CC1)C(=O)c1cc(F)ccc1)C(=O)CC

InChI:

InChI=1/C20H20F2N2O2/c1-2-19(25)14-6-7-18(17(22)13-14)23-8-10-24(11-9-23)20(26)15-4-3-5-16(21)12-15/h3-7,12-13H,2,8-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.361 kcal/mol

Physical Properties
Molecular Weight: 358.388 g/mol	logS: -4.39961	SlogP: 3.5199	Reactive groups: 0

Topological Properties
Globularity: 0.0676911	Sterimol/B1: 3.31333	Sterimol/B2: 3.6184	Sterimol/B3: 4.20235
Sterimol/B4: 5.59323	Sterimol/L: 18.8021

Surface and Volume Properties
Accessible surface: 609.725	Positive charged surface: 366.397	Negative charged surface: 243.328	Volume: 329.875
Hydrophobic surface: 513.108	Hydrophilic surface: 96.617

Pharmacophoric Properties
Hydrogen bond donors: 0	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.