MMsINC Database Search


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MMsINC code: MMs00664664

Type: Neutral
Formula: C₂₀H₂₂ClNO₆

SMILES:

Clc1ccc(OC(C(=O)Nc2cc(OC)c(OC)cc2C(OC)=O)(C)C)cc1

InChI:

InChI=1/C20H22ClNO6/c1-20(2,28-13-8-6-12(21)7-9-13)19(24)22-15-11-17(26-4)16(25-3)10-14(15)18(23)27-5/h6-11H,1-5H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=171.959 kcal/mol

Physical Properties
Molecular Weight: 407.85 g/mol	logS: -5.30289	SlogP: 3.9399	Reactive groups: 0

Topological Properties
Globularity: 0.220913	Sterimol/B1: 3.74458	Sterimol/B2: 4.58524	Sterimol/B3: 6.50898
Sterimol/B4: 8.8681	Sterimol/L: 15.3741

Surface and Volume Properties
Accessible surface: 660.5	Positive charged surface: 450.213	Negative charged surface: 210.287	Volume: 364.125
Hydrophobic surface: 572.704	Hydrophilic surface: 87.796

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.