MMsINC Database Search


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MMsINC code: MMs00782815

Type: Neutral
Formula: C₂₀H₁₉FN₂O₃

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CC(=O)NCCOC)cccc2

InChI:

InChI=1/C20H19FN2O3/c1-26-11-10-22-19(24)13-23-12-16(14-6-3-5-9-18(14)23)20(25)15-7-2-4-8-17(15)21/h2-9,12H,10-11,13H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2484 kcal/mol

Physical Properties
Molecular Weight: 354.381 g/mol	logS: -4.25179	SlogP: 3.0404	Reactive groups: 0

Topological Properties
Globularity: 0.0677349	Sterimol/B1: 3.18781	Sterimol/B2: 4.3287	Sterimol/B3: 4.83566
Sterimol/B4: 8.16978	Sterimol/L: 16.591

Surface and Volume Properties
Accessible surface: 631.193	Positive charged surface: 399.906	Negative charged surface: 225.523	Volume: 335.5
Hydrophobic surface: 551.091	Hydrophilic surface: 80.102

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.