MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01410365

Type: Neutral
Formula: C₁₈H₁₈ClNO₅

SMILES:

Clc1cc(NC(=O)C(OC(=O)c2ccc(OC)cc2OC)C)ccc1

InChI:

InChI=1/C18H18ClNO5/c1-11(17(21)20-13-6-4-5-12(19)9-13)25-18(22)15-8-7-14(23-2)10-16(15)24-3/h4-11H,1-3H3,(H,20,21)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.878 kcal/mol

Physical Properties
Molecular Weight: 363.797 g/mol	logS: -4.9253	SlogP: 3.5412	Reactive groups: 0

Topological Properties
Globularity: 0.0495137	Sterimol/B1: 2.1886	Sterimol/B2: 3.80896	Sterimol/B3: 6.27419
Sterimol/B4: 6.80547	Sterimol/L: 18.5846

Surface and Volume Properties
Accessible surface: 636.2	Positive charged surface: 393.096	Negative charged surface: 243.104	Volume: 328.5
Hydrophobic surface: 538.306	Hydrophilic surface: 97.894

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.