MMsINC Database Search


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MMsINC code: MMs00559315

Type: Neutral
Formula: C₁₉H₂₀ClNO₅

SMILES:

Clc1ccc(cc1)C(=O)NC(CC(O)=O)c1cc(OC)c(OCC)cc1

InChI:

InChI=1/C19H20ClNO5/c1-3-26-16-9-6-13(10-17(16)25-2)15(11-18(22)23)21-19(24)12-4-7-14(20)8-5-12/h4-10,15H,3,11H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4679 kcal/mol

Physical Properties
Molecular Weight: 377.824 g/mol	logS: -4.33893	SlogP: 3.7886	Reactive groups: 0

Topological Properties
Globularity: 0.105568	Sterimol/B1: 2.42195	Sterimol/B2: 4.26192	Sterimol/B3: 4.53336
Sterimol/B4: 9.10169	Sterimol/L: 17.3952

Surface and Volume Properties
Accessible surface: 645.795	Positive charged surface: 382.645	Negative charged surface: 263.15	Volume: 343.875
Hydrophobic surface: 495.586	Hydrophilic surface: 150.209

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00559316
CHEMBLOCK-ZINC04580816