MMsINC Database Search


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MMsINC code: MMs01926820

Type: Neutral
Formula: C₂₄H₁₉ClO₄

SMILES:

Clc1ccc(cc1)C=1C(=O)c2c(OC=1C)cc(OCc1ccc(OC)cc1)cc2

InChI:

InChI=1/C24H19ClO4/c1-15-23(17-5-7-18(25)8-6-17)24(26)21-12-11-20(13-22(21)29-15)28-14-16-3-9-19(27-2)10-4-16/h3-13H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.509 kcal/mol

Physical Properties
Molecular Weight: 406.865 g/mol	logS: -7.16839	SlogP: 6.2003	Reactive groups: 1

Topological Properties
Globularity: 0.0307622	Sterimol/B1: 2.43613	Sterimol/B2: 3.01395	Sterimol/B3: 4.29976
Sterimol/B4: 6.56653	Sterimol/L: 23.7334

Surface and Volume Properties
Accessible surface: 697.087	Positive charged surface: 381.755	Negative charged surface: 315.332	Volume: 378.75
Hydrophobic surface: 643.609	Hydrophilic surface: 53.478

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.