MMsINC Database Search


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MMsINC code: MMs00249137

Type: Neutral
Formula: C₂₃H₁₉FN₂O₄

SMILES:

Fc1ccccc1C(=O)N(CC1=Cc2c(NC1=O)cc(OC)cc2)Cc1occc1

InChI:

InChI=1/C23H19FN2O4/c1-29-17-9-8-15-11-16(22(27)25-21(15)12-17)13-26(14-18-5-4-10-30-18)23(28)19-6-2-3-7-20(19)24/h2-12H,13-14H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.974 kcal/mol

Physical Properties
Molecular Weight: 406.413 g/mol	logS: -5.92409	SlogP: 4.3718	Reactive groups: 0

Topological Properties
Globularity: 0.0614083	Sterimol/B1: 2.99239	Sterimol/B2: 4.2515	Sterimol/B3: 5.96303
Sterimol/B4: 7.31845	Sterimol/L: 17.3233

Surface and Volume Properties
Accessible surface: 648.097	Positive charged surface: 377.513	Negative charged surface: 270.584	Volume: 366.875
Hydrophobic surface: 549.99	Hydrophilic surface: 98.107

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.