MMsINC Database Search


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MMsINC code: MMs02714787

Type: Neutral
Formula: C₂₀H₂₅ClN₂O₂

SMILES:

Clc1cc(cc(OCC)c1OC)CNc1ccc(N2CCCC2)cc1

InChI:

InChI=1/C20H25ClN2O2/c1-3-25-19-13-15(12-18(21)20(19)24-2)14-22-16-6-8-17(9-7-16)23-10-4-5-11-23/h6-9,12-13,22H,3-5,10-11,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.102 kcal/mol

Physical Properties
Molecular Weight: 360.885 g/mol	logS: -4.59129	SlogP: 5.226	Reactive groups: 0

Topological Properties
Globularity: 0.0456204	Sterimol/B1: 2.48286	Sterimol/B2: 3.56606	Sterimol/B3: 3.92442
Sterimol/B4: 9.33536	Sterimol/L: 19.2161

Surface and Volume Properties
Accessible surface: 665.187	Positive charged surface: 461.657	Negative charged surface: 203.53	Volume: 356.875
Hydrophobic surface: 594.819	Hydrophilic surface: 70.368

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.