MMsINC Database Search


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MMsINC code: MMs00702351

Type: Neutral
Formula: C₁₈H₁₆F₄N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)CCCCC(=O)Nc1ccc(F)cc1F

InChI:

InChI=1/C18H16F4N2O2/c19-11-5-7-15(13(21)9-11)23-17(25)3-1-2-4-18(26)24-16-8-6-12(20)10-14(16)22/h5-10H,1-4H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2042 kcal/mol

Physical Properties
Molecular Weight: 368.33 g/mol	logS: -4.9307	SlogP: 4.3806	Reactive groups: 0

Topological Properties
Globularity: 0.0145029	Sterimol/B1: 2.09757	Sterimol/B2: 2.48296	Sterimol/B3: 3.3198
Sterimol/B4: 5.1641	Sterimol/L: 21.5031

Surface and Volume Properties
Accessible surface: 614.281	Positive charged surface: 334.272	Negative charged surface: 280.009	Volume: 310.375
Hydrophobic surface: 534.503	Hydrophilic surface: 79.778

Pharmacophoric Properties
Hydrogen bond donors: 2	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.