MMsINC Database Search


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MMsINC code: MMs00726120

Type: Neutral
Formula: C₁₇H₁₈ClNO₅

SMILES:

Clc1cc(OC)c(NC(=O)c2cccc(OC)c2OC)cc1OC

InChI:

InChI=1/C17H18ClNO5/c1-21-13-7-5-6-10(16(13)24-4)17(20)19-12-9-14(22-2)11(18)8-15(12)23-3/h5-9H,1-4H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.884 kcal/mol

Physical Properties
Molecular Weight: 351.786 g/mol	logS: -4.29068	SlogP: 3.6267	Reactive groups: 0

Topological Properties
Globularity: 0.0254514	Sterimol/B1: 2.29316	Sterimol/B2: 3.38197	Sterimol/B3: 5.91949
Sterimol/B4: 6.2529	Sterimol/L: 16.9659

Surface and Volume Properties
Accessible surface: 593.042	Positive charged surface: 427.912	Negative charged surface: 165.13	Volume: 318.5
Hydrophobic surface: 545.601	Hydrophilic surface: 47.441

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.