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MMsINC code: MMs01425877

Type: Neutral
Formula: C₂₃H₂₁ClN₂O₃

SMILES:

Clc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C23H21ClN2O3/c24-19-11-5-7-13-21(19)29-16-22(27)26-20-12-6-4-10-18(20)23(28)25-15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.463 kcal/mol

Physical Properties
Molecular Weight: 408.885 g/mol	logS: -6.14148	SlogP: 4.32997	Reactive groups: 0

Topological Properties
Globularity: 0.0343865	Sterimol/B1: 2.41042	Sterimol/B2: 3.5558	Sterimol/B3: 3.80344
Sterimol/B4: 10.6911	Sterimol/L: 19.3169

Surface and Volume Properties
Accessible surface: 719.921	Positive charged surface: 388.178	Negative charged surface: 331.742	Volume: 385.5
Hydrophobic surface: 646.617	Hydrophilic surface: 73.304

Pharmacophoric Properties
Hydrogen bond donors: 2	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.