MMsINC Database Search


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MMsINC code: MMs03513781

Type: Neutral
Formula: C₂₄H₁₉FN₂O₂

SMILES:

Fc1ccccc1NC(=O)c1cc(nc2c1cccc2)-c1ccc(OCC)cc1

InChI:

InChI=1/C24H19FN2O2/c1-2-29-17-13-11-16(12-14-17)23-15-19(18-7-3-5-9-21(18)26-23)24(28)27-22-10-6-4-8-20(22)25/h3-15H,2H2,1H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.005 kcal/mol

Physical Properties
Molecular Weight: 386.426 g/mol	logS: -7.01116	SlogP: 5.6919	Reactive groups: 0

Topological Properties
Globularity: 0.011293	Sterimol/B1: 2.7076	Sterimol/B2: 2.8135	Sterimol/B3: 4.71034
Sterimol/B4: 9.80993	Sterimol/L: 17.9183

Surface and Volume Properties
Accessible surface: 671.344	Positive charged surface: 368.266	Negative charged surface: 291.417	Volume: 366.5
Hydrophobic surface: 593.513	Hydrophilic surface: 77.831

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.