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MMsINC code: MMs00165683

Type: Neutral
Formula: C₂₀H₁₆ClNO₄

SMILES:

Clc1cc2c(OC(=O)C=C2c2ccccc2)cc1OCC(=O)NC1CC1

InChI:

InChI=1/C20H16ClNO4/c21-16-8-15-14(12-4-2-1-3-5-12)9-20(24)26-17(15)10-18(16)25-11-19(23)22-13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.66 kcal/mol

Physical Properties
Molecular Weight: 369.804 g/mol	logS: -6.05811	SlogP: 3.16539	Reactive groups: 0

Topological Properties
Globularity: 0.0268313	Sterimol/B1: 3.33219	Sterimol/B2: 3.5	Sterimol/B3: 3.54806
Sterimol/B4: 7.71754	Sterimol/L: 19.1988

Surface and Volume Properties
Accessible surface: 629.725	Positive charged surface: 331.994	Negative charged surface: 297.73	Volume: 332.75
Hydrophobic surface: 463.551	Hydrophilic surface: 166.174

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.