MMsINC Database Search


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MMsINC code: MMs01365823

Type: Neutral
Formula: C₂₃H₂₁F₂NO₂

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NCCC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H21F2NO2/c24-23(25)28-20-13-11-19(12-14-20)22(27)26-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.613 kcal/mol

Physical Properties
Molecular Weight: 381.422 g/mol	logS: -5.33886	SlogP: 5.6599	Reactive groups: 0

Topological Properties
Globularity: 0.0824737	Sterimol/B1: 2.39422	Sterimol/B2: 3.15647	Sterimol/B3: 5.46626
Sterimol/B4: 8.95702	Sterimol/L: 17.6676

Surface and Volume Properties
Accessible surface: 662.546	Positive charged surface: 356.437	Negative charged surface: 306.109	Volume: 360.75
Hydrophobic surface: 531.432	Hydrophilic surface: 131.114

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.