MMsINC Database Search


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MMsINC code: MMs00208048

Type: Neutral
Formula: C₂₃H₂₁FN₂O

SMILES:

Fc1ccc(NC(=O)c2ccc(cc2)CN2CCc3c(C2)cccc3)cc1

InChI:

InChI=1/C23H21FN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.792 kcal/mol

Physical Properties
Molecular Weight: 360.432 g/mol	logS: -5.47307	SlogP: 5.16907	Reactive groups: 0

Topological Properties
Globularity: 0.046103	Sterimol/B1: 2.36168	Sterimol/B2: 2.97569	Sterimol/B3: 4.61137
Sterimol/B4: 7.59702	Sterimol/L: 18.8447

Surface and Volume Properties
Accessible surface: 644.833	Positive charged surface: 374.223	Negative charged surface: 270.61	Volume: 353.375
Hydrophobic surface: 597.85	Hydrophilic surface: 46.983

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

MMs00208049
ASINEX-ZINC00886277