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MMsINC code: MMs00341306

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1cc(C(=O)NCCc2c3cc(OC)ccc3[nH]c2)c(OC)cc1

InChI:

InChI=1/C19H19ClN2O3/c1-24-14-4-5-17-15(10-14)12(11-22-17)7-8-21-19(23)16-9-13(20)3-6-18(16)25-2/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.129 kcal/mol

Physical Properties
Molecular Weight: 358.825 g/mol	logS: -4.48533	SlogP: 3.81097	Reactive groups: 0

Topological Properties
Globularity: 0.0899561	Sterimol/B1: 2.43251	Sterimol/B2: 4.69259	Sterimol/B3: 5.60978
Sterimol/B4: 8.24656	Sterimol/L: 16.9402

Surface and Volume Properties
Accessible surface: 634.331	Positive charged surface: 400.623	Negative charged surface: 228.149	Volume: 333.875
Hydrophobic surface: 532.088	Hydrophilic surface: 102.243

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.