MMsINC Database Search


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MMsINC code: MMs00861723

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₄

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)N1CCC(CC1)C(OCC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1421 kcal/mol

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

Topological Properties
Globularity: 0.20571	Sterimol/B1: 3.33739	Sterimol/B2: 4.5705	Sterimol/B3: 5.68888
Sterimol/B4: 6.54151	Sterimol/L: 15.374

Surface and Volume Properties
Accessible surface: 609.822	Positive charged surface: 353.384	Negative charged surface: 256.439	Volume: 345.125
Hydrophobic surface: 515.388	Hydrophilic surface: 94.434

Pharmacophoric Properties
Hydrogen bond donors: 0	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.