MMsINC Database Search


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MMsINC code: MMs00210527

Type: Neutral
Formula: C₂₂H₁₉FN₂O₂

SMILES:

Fc1ccccc1C(=O)N1CCN(CC1)C(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C22H19FN2O2/c23-20-11-4-3-9-19(20)22(27)25-14-12-24(13-15-25)21(26)18-10-5-7-16-6-1-2-8-17(16)18/h1-11H,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.588 kcal/mol

Physical Properties
Molecular Weight: 362.404 g/mol	logS: -5.5812	SlogP: 3.5771	Reactive groups: 0

Topological Properties
Globularity: 0.123197	Sterimol/B1: 2.19059	Sterimol/B2: 4.32584	Sterimol/B3: 5.38444
Sterimol/B4: 5.76392	Sterimol/L: 15.9779

Surface and Volume Properties
Accessible surface: 592.992	Positive charged surface: 337.77	Negative charged surface: 245.451	Volume: 343.25
Hydrophobic surface: 536.818	Hydrophilic surface: 56.174

Pharmacophoric Properties
Hydrogen bond donors: 0	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.