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MMsINC code: MMs00415633

Type: Neutral
Formula: C₂₀H₁₈ClNO₄

SMILES:

Clc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C20H18ClNO4/c21-15-7-5-13(6-8-15)18(23)14-9-11-22(12-10-14)19(24)16-3-1-2-4-17(16)20(25)26/h1-8,14H,9-12H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.7845 kcal/mol

Physical Properties
Molecular Weight: 371.82 g/mol	logS: -4.53682	SlogP: 3.7733	Reactive groups: 0

Topological Properties
Globularity: 0.125916	Sterimol/B1: 2.47135	Sterimol/B2: 4.02412	Sterimol/B3: 4.663
Sterimol/B4: 6.48956	Sterimol/L: 16.5729

Surface and Volume Properties
Accessible surface: 596.867	Positive charged surface: 319.481	Negative charged surface: 277.386	Volume: 334.5
Hydrophobic surface: 466.929	Hydrophilic surface: 129.938

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00415634
ASINEX-ZINC04966827