MMsINC Database Search


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MMsINC code: MMs01808991

Type: Neutral
Formula: C₂₃H₁₇ClO₄

SMILES:

Clc1cc(ccc1)COc1cc2OC=C(C(=O)c2cc1)c1ccc(OC)cc1

InChI:

InChI=1/C23H17ClO4/c1-26-18-7-5-16(6-8-18)21-14-28-22-12-19(9-10-20(22)23(21)25)27-13-15-3-2-4-17(24)11-15/h2-12,14H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.511 kcal/mol

Physical Properties
Molecular Weight: 392.838 g/mol	logS: -6.86223	SlogP: 5.8102	Reactive groups: 1

Topological Properties
Globularity: 0.025651	Sterimol/B1: 2.5252	Sterimol/B2: 3.57767	Sterimol/B3: 4.53208
Sterimol/B4: 5.00755	Sterimol/L: 22.5753

Surface and Volume Properties
Accessible surface: 666.107	Positive charged surface: 350.572	Negative charged surface: 315.535	Volume: 358.5
Hydrophobic surface: 616.949	Hydrophilic surface: 49.158

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.