MMsINC Database Search


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MMsINC code: MMs00256808

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₃

SMILES:

Clc1ccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1

InChI:

InChI=1/C20H23ClN2O3/c21-16-3-9-19(10-4-16)26-13-1-2-20(24)22-17-5-7-18(8-6-17)23-11-14-25-15-12-23/h3-10H,1-2,11-15H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.702 kcal/mol

Physical Properties
Molecular Weight: 374.868 g/mol	logS: -4.46856	SlogP: 3.9743	Reactive groups: 0

Topological Properties
Globularity: 0.0162388	Sterimol/B1: 2.90782	Sterimol/B2: 3.44408	Sterimol/B3: 3.52071
Sterimol/B4: 4.79964	Sterimol/L: 23.2938

Surface and Volume Properties
Accessible surface: 674.585	Positive charged surface: 436.215	Negative charged surface: 238.37	Volume: 353.875
Hydrophobic surface: 598.637	Hydrophilic surface: 75.948

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.