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MMsINC code: MMs01454372

Type: Neutral
Formula: C₁₉H₂₀ClNO₄

SMILES:

Clc1cc(C)c(OCC(OCC(=O)NCc2ccccc2)=O)c(c1)C

InChI:

InChI=1/C19H20ClNO4/c1-13-8-16(20)9-14(2)19(13)25-12-18(23)24-11-17(22)21-10-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5657 kcal/mol

Physical Properties
Molecular Weight: 361.825 g/mol	logS: -4.83913	SlogP: 3.46164	Reactive groups: 1

Topological Properties
Globularity: 0.0226622	Sterimol/B1: 2.24331	Sterimol/B2: 2.97085	Sterimol/B3: 4.01048
Sterimol/B4: 7.25774	Sterimol/L: 22.0698

Surface and Volume Properties
Accessible surface: 662.425	Positive charged surface: 366.804	Negative charged surface: 295.621	Volume: 339.25
Hydrophobic surface: 560.381	Hydrophilic surface: 102.044

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.