MMsINC Database Search


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MMsINC code: MMs00507123

Type: Neutral
Formula: C₂₀H₂₀F₂N₂O₂

SMILES:

Fc1cc(ccc1N1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)CC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.675 kcal/mol

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

Topological Properties
Globularity: 0.0665623	Sterimol/B1: 3.49621	Sterimol/B2: 3.62575	Sterimol/B3: 4.13822
Sterimol/B4: 5.59362	Sterimol/L: 18.9872

Surface and Volume Properties
Accessible surface: 608.566	Positive charged surface: 366.353	Negative charged surface: 242.213	Volume: 332.25
Hydrophobic surface: 511.945	Hydrophilic surface: 96.621

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.