MMsINC Database Search


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MMsINC code: MMs00963128

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CN1c2c(cccc2)C(=O)N(CCc2ccccc2)C1=O

InChI:

InChI=1/C23H19FN2O2/c24-19-12-10-18(11-13-19)16-26-21-9-5-4-8-20(21)22(27)25(23(26)28)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9818 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -5.61817	SlogP: 4.91717	Reactive groups: 0

Topological Properties
Globularity: 0.0593886	Sterimol/B1: 3.37299	Sterimol/B2: 3.90926	Sterimol/B3: 5.04685
Sterimol/B4: 7.36812	Sterimol/L: 16.8309

Surface and Volume Properties
Accessible surface: 617.618	Positive charged surface: 333.925	Negative charged surface: 283.693	Volume: 353.125
Hydrophobic surface: 565.513	Hydrophilic surface: 52.105

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.