MMsINC Database Search


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MMsINC code: MMs01272238

Type: Neutral
Formula: C₂₀H₂₃FN₂O

SMILES:

Fc1ccccc1CC(=O)N1CCN(CC1)c1cccc(C)c1C

InChI:

InChI=1/C20H23FN2O/c1-15-6-5-9-19(16(15)2)22-10-12-23(13-11-22)20(24)14-17-7-3-4-8-18(17)21/h3-9H,10-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.506 kcal/mol

Physical Properties
Molecular Weight: 326.415 g/mol	logS: -4.28645	SlogP: 3.33381	Reactive groups: 0

Topological Properties
Globularity: 0.0481007	Sterimol/B1: 3.14783	Sterimol/B2: 3.39678	Sterimol/B3: 4.13188
Sterimol/B4: 5.40238	Sterimol/L: 18.5539

Surface and Volume Properties
Accessible surface: 588.922	Positive charged surface: 376.747	Negative charged surface: 212.175	Volume: 329.875
Hydrophobic surface: 554.336	Hydrophilic surface: 34.586

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.