MMsINC Database Search


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MMsINC code: MMs01451930

Type: Neutral
Formula: C₁₉H₂₀ClNO₇

SMILES:

Clc1cc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1

InChI:

InChI=1/C19H20ClNO7/c1-24-14-6-5-12(20)9-13(14)21-17(22)10-28-19(23)11-7-15(25-2)18(27-4)16(8-11)26-3/h5-9H,10H2,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.351 kcal/mol

Physical Properties
Molecular Weight: 409.822 g/mol	logS: -4.69885	SlogP: 3.1699	Reactive groups: 0

Topological Properties
Globularity: 0.0168416	Sterimol/B1: 2.42774	Sterimol/B2: 3.02567	Sterimol/B3: 3.90271
Sterimol/B4: 7.97223	Sterimol/L: 18.9241

Surface and Volume Properties
Accessible surface: 700.37	Positive charged surface: 501.477	Negative charged surface: 198.893	Volume: 362.5
Hydrophobic surface: 594.266	Hydrophilic surface: 106.104

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.