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MMsINC code: MMs02571076

Type: Neutral
Formula: C₂₀H₂₁ClN₂O₃

SMILES:

Clc1ccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1

InChI:

InChI=1/C20H21ClN2O3/c21-16-6-8-17(9-7-16)22-20(25)15-4-10-18(11-5-15)26-14-19(24)23-12-2-1-3-13-23/h4-11H,1-3,12-14H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.946 kcal/mol

Physical Properties
Molecular Weight: 372.852 g/mol	logS: -4.96027	SlogP: 3.9836	Reactive groups: 0

Topological Properties
Globularity: 0.0192325	Sterimol/B1: 2.72453	Sterimol/B2: 2.78151	Sterimol/B3: 3.24451
Sterimol/B4: 6.92969	Sterimol/L: 21.8048

Surface and Volume Properties
Accessible surface: 653.109	Positive charged surface: 376.272	Negative charged surface: 276.836	Volume: 346.75
Hydrophobic surface: 575.225	Hydrophilic surface: 77.884

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.