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MMsINC code: MMs03095408

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₃

SMILES:

Clc1cc(ccc1OCC)C(=O)Nc1ccc(cc1)CN1CCOCC1

InChI:

InChI=1/C20H23ClN2O3/c1-2-26-19-8-5-16(13-18(19)21)20(24)22-17-6-3-15(4-7-17)14-23-9-11-25-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.511 kcal/mol

Physical Properties
Molecular Weight: 374.868 g/mol	logS: -4.62968	SlogP: 4.0896	Reactive groups: 0

Topological Properties
Globularity: 0.039593	Sterimol/B1: 3.49824	Sterimol/B2: 3.74632	Sterimol/B3: 4.08122
Sterimol/B4: 4.75191	Sterimol/L: 21.7883

Surface and Volume Properties
Accessible surface: 658.894	Positive charged surface: 436.134	Negative charged surface: 222.76	Volume: 356.5
Hydrophobic surface: 574.646	Hydrophilic surface: 84.248

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

MMs03095409
PUBCHEM-ZINC04165310