MMsINC Database Search


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

MMsINC code: MMs00666490

Type: Neutral
Formula: C₁₉H₂₁Cl₂NO₄

SMILES:

Clc1cc(cc(Cl)c1OCC)C(=O)NCCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H21Cl2NO4/c1-4-26-18-14(20)10-13(11-15(18)21)19(23)22-8-7-12-5-6-16(24-2)17(9-12)25-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9926 kcal/mol

Physical Properties
Molecular Weight: 398.286 g/mol	logS: -5.30731	SlogP: 4.38177	Reactive groups: 0

Topological Properties
Globularity: 0.0384922	Sterimol/B1: 4.12728	Sterimol/B2: 4.23856	Sterimol/B3: 5.14814
Sterimol/B4: 5.18739	Sterimol/L: 21.4841

Surface and Volume Properties
Accessible surface: 679.696	Positive charged surface: 418.729	Negative charged surface: 260.967	Volume: 361.5
Hydrophobic surface: 587.78	Hydrophilic surface: 91.916

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.