MMsINC Database Search


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MMsINC code: MMs01745174

Type: Neutral
Formula: C₁₇H₁₁ClO₄

SMILES:

Clc1cc(ccc1C(OC1=CC(Oc2c1cccc2)=O)=O)C

InChI:

InChI=1/C17H11ClO4/c1-10-6-7-11(13(18)8-10)17(20)22-15-9-16(19)21-14-5-3-2-4-12(14)15/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5474 kcal/mol

Physical Properties
Molecular Weight: 314.724 g/mol	logS: -6.1293	SlogP: 3.76532	Reactive groups: 0

Topological Properties
Globularity: 0.061929	Sterimol/B1: 3.12001	Sterimol/B2: 4.49501	Sterimol/B3: 5.0719
Sterimol/B4: 5.57895	Sterimol/L: 15.3009

Surface and Volume Properties
Accessible surface: 524.076	Positive charged surface: 252.835	Negative charged surface: 271.241	Volume: 275.75
Hydrophobic surface: 439.726	Hydrophilic surface: 84.35

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.