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MMsINC code: MMs00514549

Type: Neutral
Formula: C₂₄H₂₅ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(=O)NC2CCCC2)c1C

InChI:

InChI=1/C24H25ClN2O3/c1-15-20(14-23(28)26-18-5-3-4-6-18)21-13-19(30-2)11-12-22(21)27(15)24(29)16-7-9-17(25)10-8-16/h7-13,18H,3-6,14H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.029 kcal/mol

Physical Properties
Molecular Weight: 424.928 g/mol	logS: -5.98558	SlogP: 4.90149	Reactive groups: 0

Topological Properties
Globularity: 0.063024	Sterimol/B1: 2.23508	Sterimol/B2: 4.09316	Sterimol/B3: 4.30193
Sterimol/B4: 10.8461	Sterimol/L: 18.9698

Surface and Volume Properties
Accessible surface: 715.142	Positive charged surface: 430.321	Negative charged surface: 282.062	Volume: 403.75
Hydrophobic surface: 646.004	Hydrophilic surface: 69.138

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.