MMsINC Database Search


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MMsINC code: MMs01312299

Type: Neutral
Formula: C₁₈H₁₈ClNO₆

SMILES:

Clc1ccccc1NC(=O)COC(=O)c1ccc(OC)c(OC)c1OC

InChI:

InChI=1/C18H18ClNO6/c1-23-14-9-8-11(16(24-2)17(14)25-3)18(22)26-10-15(21)20-13-7-5-4-6-12(13)19/h4-9H,10H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132 kcal/mol

Physical Properties
Molecular Weight: 379.796 g/mol	logS: -4.64847	SlogP: 3.1613	Reactive groups: 0

Topological Properties
Globularity: 0.0297037	Sterimol/B1: 1.969	Sterimol/B2: 3.19959	Sterimol/B3: 3.61812
Sterimol/B4: 8.90426	Sterimol/L: 18.5191

Surface and Volume Properties
Accessible surface: 645.888	Positive charged surface: 439.635	Negative charged surface: 206.253	Volume: 337.125
Hydrophobic surface: 564.647	Hydrophilic surface: 81.241

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.