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MMsINC code: MMs00906436

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₄

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)N1CC(CCC1)C(OCC)=O

InChI:

InChI=1/C19H20ClFN2O4/c1-3-26-19(25)12-6-5-9-23(10-12)18(24)15-11(2)27-22-17(15)16-13(20)7-4-8-14(16)21/h4,7-8,12H,3,5-6,9-10H2,1-2H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9907 kcal/mol

Physical Properties
Molecular Weight: 394.83 g/mol	logS: -4.85345	SlogP: 3.85782	Reactive groups: 0

Topological Properties
Globularity: 0.203629	Sterimol/B1: 2.47747	Sterimol/B2: 6.22748	Sterimol/B3: 6.23493
Sterimol/B4: 6.37216	Sterimol/L: 15.33

Surface and Volume Properties
Accessible surface: 609.663	Positive charged surface: 349.875	Negative charged surface: 259.788	Volume: 345.875
Hydrophobic surface: 517.307	Hydrophilic surface: 92.356

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.