MMsINC Database Search


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MMsINC code: MMs00267020

Type: Neutral
Formula: C₂₀H₁₉FN₂O₃

SMILES:

Fc1ccc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CCCC)cc1

InChI:

InChI=1/C20H19FN2O3/c1-2-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)22-14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3437 kcal/mol

Physical Properties
Molecular Weight: 354.381 g/mol	logS: -5.12848	SlogP: 3.8802	Reactive groups: 0

Topological Properties
Globularity: 0.028535	Sterimol/B1: 2.11069	Sterimol/B2: 2.14743	Sterimol/B3: 4.13431
Sterimol/B4: 9.47288	Sterimol/L: 17.3014

Surface and Volume Properties
Accessible surface: 601.204	Positive charged surface: 350.251	Negative charged surface: 250.952	Volume: 329.25
Hydrophobic surface: 490.851	Hydrophilic surface: 110.353

Pharmacophoric Properties
Hydrogen bond donors: 2	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.