MMsINC Database Search


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MMsINC code: MMs00266198

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₃

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ccc(OCCC)cc1

InChI:

InChI=1/C20H18ClFN2O3/c1-3-11-26-14-9-7-13(8-10-14)23-20(25)17-12(2)27-24-19(17)18-15(21)5-4-6-16(18)22/h4-10H,3,11H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3074 kcal/mol

Physical Properties
Molecular Weight: 388.826 g/mol	logS: -6.31842	SlogP: 5.48362	Reactive groups: 0

Topological Properties
Globularity: 0.0649295	Sterimol/B1: 2.7664	Sterimol/B2: 4.82369	Sterimol/B3: 6.12961
Sterimol/B4: 6.40975	Sterimol/L: 18.0839

Surface and Volume Properties
Accessible surface: 647.196	Positive charged surface: 341.044	Negative charged surface: 306.151	Volume: 345.625
Hydrophobic surface: 569.901	Hydrophilic surface: 77.295

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.