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MMsINC code: MMs00791548

Type: Neutral
Formula: C₁₉H₂₀ClNO₄

SMILES:

Clc1cc(NC(=O)COc2ccccc2C(CC)C)c(cc1)C(O)=O

InChI:

InChI=1/C19H20ClNO4/c1-3-12(2)14-6-4-5-7-17(14)25-11-18(22)21-16-10-13(20)8-9-15(16)19(23)24/h4-10,12H,3,11H2,1-2H3,(H,21,22)(H,23,24)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.5794 kcal/mol

Physical Properties
Molecular Weight: 361.825 g/mol	logS: -5.84151	SlogP: 4.5692	Reactive groups: 0

Topological Properties
Globularity: 0.0434611	Sterimol/B1: 2.73603	Sterimol/B2: 3.12281	Sterimol/B3: 4.40585
Sterimol/B4: 8.93025	Sterimol/L: 15.3791

Surface and Volume Properties
Accessible surface: 626.877	Positive charged surface: 350.941	Negative charged surface: 275.936	Volume: 333.625
Hydrophobic surface: 459.782	Hydrophilic surface: 167.095

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00791549
CHEMBRIDGE-ZINC04819503