MMsINC Database Search


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

MMsINC code: MMs02363811

Type: Neutral
Formula: C₁₆H₁₆ClN₃O₄

SMILES:

Clc1ccccc1C(=O)NNC(=O)Nc1cc(OC)ccc1OC

InChI:

InChI=1/C16H16ClN3O4/c1-23-10-7-8-14(24-2)13(9-10)18-16(22)20-19-15(21)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,19,21)(H2,18,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.902 kcal/mol

Physical Properties
Molecular Weight: 349.774 g/mol	logS: -4.31563	SlogP: 2.8237	Reactive groups: 0

Topological Properties
Globularity: 0.0203416	Sterimol/B1: 2.29333	Sterimol/B2: 3.28436	Sterimol/B3: 3.71157
Sterimol/B4: 6.94406	Sterimol/L: 17.847

Surface and Volume Properties
Accessible surface: 594.099	Positive charged surface: 366.698	Negative charged surface: 227.401	Volume: 307.375
Hydrophobic surface: 474.988	Hydrophilic surface: 119.111

Pharmacophoric Properties
Hydrogen bond donors: 3	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.