MMsINC Database Search


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MMsINC code: MMs00731092

Type: Neutral
Formula: C₂₄H₁₉FN₂O₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CC(=O)Nc1cc(ccc1)C)cccc2

InChI:

InChI=1/C24H19FN2O2/c1-16-7-6-8-17(13-16)26-23(28)15-27-14-20(18-9-3-5-12-22(18)27)24(29)19-10-2-4-11-21(19)25/h2-14H,15H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.91 kcal/mol

Physical Properties
Molecular Weight: 386.426 g/mol	logS: -6.40693	SlogP: 5.22492	Reactive groups: 0

Topological Properties
Globularity: 0.0883633	Sterimol/B1: 3.65138	Sterimol/B2: 4.09563	Sterimol/B3: 5.38363
Sterimol/B4: 7.65849	Sterimol/L: 16.9591

Surface and Volume Properties
Accessible surface: 671.155	Positive charged surface: 361.103	Negative charged surface: 304.5	Volume: 369.5
Hydrophobic surface: 602.134	Hydrophilic surface: 69.021

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.