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MMsINC code: MMs00727171

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₄

SMILES:

Clc1cc(OC)c(NC(=O)c2ccc(NC(=O)CCCC)cc2)cc1OC

InChI:

InChI=1/C20H23ClN2O4/c1-4-5-6-19(24)22-14-9-7-13(8-10-14)20(25)23-16-12-17(26-2)15(21)11-18(16)27-3/h7-12H,4-6H2,1-3H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.105 kcal/mol

Physical Properties
Molecular Weight: 390.867 g/mol	logS: -5.63158	SlogP: 4.7382	Reactive groups: 0

Topological Properties
Globularity: 0.00998765	Sterimol/B1: 2.52638	Sterimol/B2: 2.88141	Sterimol/B3: 4.73704
Sterimol/B4: 6.76391	Sterimol/L: 21.8601

Surface and Volume Properties
Accessible surface: 696.776	Positive charged surface: 472.128	Negative charged surface: 224.649	Volume: 367
Hydrophobic surface: 591.283	Hydrophilic surface: 105.493

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.