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MMsINC code: MMs00569563

Type: Neutral
Formula: C₁₉H₂₀ClNO₃

SMILES:

Clc1ccc(cc1)C(NC(=O)CCCc1ccccc1)CC(O)=O

InChI:

InChI=1/C19H20ClNO3/c20-16-11-9-15(10-12-16)17(13-19(23)24)21-18(22)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,21,22)(H,23,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.9646 kcal/mol

Physical Properties
Molecular Weight: 345.826 g/mol	logS: -4.36957	SlogP: 4.09037	Reactive groups: 0

Topological Properties
Globularity: 0.0732256	Sterimol/B1: 2.9811	Sterimol/B2: 4.44212	Sterimol/B3: 6.38044
Sterimol/B4: 6.95349	Sterimol/L: 15.6669

Surface and Volume Properties
Accessible surface: 625.309	Positive charged surface: 343.234	Negative charged surface: 282.075	Volume: 328.75
Hydrophobic surface: 503.154	Hydrophilic surface: 122.155

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00569564
CHEMBLOCK-ZINC04689764