MMsINC Database Search


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MMsINC code: MMs02174930

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₄

SMILES:

Clc1cccc(F)c1-c1onc(C)c1C(=O)NCCOc1ccc(OC)cc1

InChI:

InChI=1/C20H18ClFN2O4/c1-12-17(19(28-24-12)18-15(21)4-3-5-16(18)22)20(25)23-10-11-27-14-8-6-13(26-2)7-9-14/h3-9H,10-11H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7275 kcal/mol

Physical Properties
Molecular Weight: 404.825 g/mol	logS: -5.8103	SlogP: 4.25992	Reactive groups: 0

Topological Properties
Globularity: 0.104858	Sterimol/B1: 2.274	Sterimol/B2: 4.62326	Sterimol/B3: 4.85003
Sterimol/B4: 10.1918	Sterimol/L: 16.4789

Surface and Volume Properties
Accessible surface: 667.173	Positive charged surface: 384.563	Negative charged surface: 282.61	Volume: 355.375
Hydrophobic surface: 600.261	Hydrophilic surface: 66.912

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.