MMsINC Database Search


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MMsINC code: MMs01254290

Type: Neutral
Formula: C₂₀H₂₂F₂N₂O₄

SMILES:

Fc1cc(F)ccc1NC(=O)C(NC(=O)c1cc(OC)cc(OC)c1)C(C)C

InChI:

InChI=1/C20H22F2N2O4/c1-11(2)18(20(26)23-17-6-5-13(21)9-16(17)22)24-19(25)12-7-14(27-3)10-15(8-12)28-4/h5-11,18H,1-4H3,(H,23,26)(H,24,25)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.993 kcal/mol

Physical Properties
Molecular Weight: 392.402 g/mol	logS: -4.94891	SlogP: 3.3751	Reactive groups: 0

Topological Properties
Globularity: 0.0590558	Sterimol/B1: 2.2282	Sterimol/B2: 3.96897	Sterimol/B3: 5.1663
Sterimol/B4: 7.0841	Sterimol/L: 18.9452

Surface and Volume Properties
Accessible surface: 644.23	Positive charged surface: 409.652	Negative charged surface: 234.578	Volume: 356
Hydrophobic surface: 537.701	Hydrophilic surface: 106.529

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.