MMsINC Database Search


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MMsINC code: MMs02728059

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₃

SMILES:

Clc1ccc(N2CCN(CC2)C(=O)Cc2cc(OC)c(OC)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.267 kcal/mol

Physical Properties
Molecular Weight: 374.868 g/mol	logS: -4.19213	SlogP: 3.24847	Reactive groups: 0

Topological Properties
Globularity: 0.0607312	Sterimol/B1: 3.37309	Sterimol/B2: 3.41446	Sterimol/B3: 3.95212
Sterimol/B4: 6.54462	Sterimol/L: 20.8449

Surface and Volume Properties
Accessible surface: 653.273	Positive charged surface: 449.637	Negative charged surface: 203.636	Volume: 356
Hydrophobic surface: 595.971	Hydrophilic surface: 57.302

Pharmacophoric Properties
Hydrogen bond donors: 0	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.