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MMsINC code: MMs01632424

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)NCCC(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C18H19ClN2O3/c1-24-16-8-2-13(3-9-16)12-21-17(22)10-11-20-18(23)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6919 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.13807	SlogP: 3.0513	Reactive groups: 0

Topological Properties
Globularity: 0.0263508	Sterimol/B1: 2.85497	Sterimol/B2: 2.9441	Sterimol/B3: 4.54711
Sterimol/B4: 6.15459	Sterimol/L: 21.7744

Surface and Volume Properties
Accessible surface: 645.115	Positive charged surface: 379.998	Negative charged surface: 265.117	Volume: 324.5
Hydrophobic surface: 537.952	Hydrophilic surface: 107.163

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.