MMsINC Database Search


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MMsINC code: MMs03452360

Type: Neutral
Formula: C₂₀H₁₀Cl₂O₅

SMILES:

Clc1c2Oc3c(ccc(O)c3Cl)C3(OC(=O)c4c3cccc4)c2ccc1O

InChI:

InChI=1/C20H10Cl2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.329 kcal/mol

Physical Properties
Molecular Weight: 401.201 g/mol	logS: -6.71844	SlogP: 5.2841	Reactive groups: 0

Topological Properties
Globularity: 0.258767	Sterimol/B1: 2.4371	Sterimol/B2: 3.3615	Sterimol/B3: 6.03237
Sterimol/B4: 10.3266	Sterimol/L: 12.7557

Surface and Volume Properties
Accessible surface: 560.768	Positive charged surface: 238.157	Negative charged surface: 322.611	Volume: 320.875
Hydrophobic surface: 416.24	Hydrophilic surface: 144.528

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.