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MMsINC code: MMs01278976

Type: Neutral
Formula: C₁₉H₂₀ClNO₄

SMILES:

Clc1ccc(OCC(OCC(=O)NCCCc2ccccc2)=O)cc1

InChI:

InChI=1/C19H20ClNO4/c20-16-8-10-17(11-9-16)24-14-19(23)25-13-18(22)21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.302 kcal/mol

Physical Properties
Molecular Weight: 361.825 g/mol	logS: -4.78143	SlogP: 3.01097	Reactive groups: 1

Topological Properties
Globularity: 0.0178869	Sterimol/B1: 3.05126	Sterimol/B2: 3.61708	Sterimol/B3: 3.61981
Sterimol/B4: 4.75505	Sterimol/L: 24.4958

Surface and Volume Properties
Accessible surface: 679.713	Positive charged surface: 382.257	Negative charged surface: 297.456	Volume: 340.125
Hydrophobic surface: 573.949	Hydrophilic surface: 105.764

Pharmacophoric Properties
Hydrogen bond donors: 1	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.