MMsINC Database Search


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MMsINC code: MMs01407233

Type: Neutral
Formula: C₁₈H₁₇Cl₂NO₆

SMILES:

Clc1cc(cc(OC)c1OC)C(OCC(=O)Nc1cc(Cl)ccc1OC)=O

InChI:

InChI=1/C18H17Cl2NO6/c1-24-14-5-4-11(19)8-13(14)21-16(22)9-27-18(23)10-6-12(20)17(26-3)15(7-10)25-2/h4-8H,9H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.823 kcal/mol

Physical Properties
Molecular Weight: 414.241 g/mol	logS: -5.38276	SlogP: 3.8147	Reactive groups: 0

Topological Properties
Globularity: 0.0124136	Sterimol/B1: 2.56773	Sterimol/B2: 2.75759	Sterimol/B3: 3.35808
Sterimol/B4: 8.18576	Sterimol/L: 18.7773

Surface and Volume Properties
Accessible surface: 678.446	Positive charged surface: 420.955	Negative charged surface: 257.491	Volume: 351
Hydrophobic surface: 577.805	Hydrophilic surface: 100.641

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.