MMsINC Database Search


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

MMsINC code: MMs00227667

Type: Neutral
Formula: C₁₅H₁₄ClNO₄

SMILES:

Clc1cc(NC(=O)c2c(OC)cccc2OC)c(O)cc1

InChI:

InChI=1/C15H14ClNO4/c1-20-12-4-3-5-13(21-2)14(12)15(19)17-10-8-9(16)6-7-11(10)18/h3-8,18H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2428 kcal/mol

Physical Properties
Molecular Weight: 307.733 g/mol	logS: -3.82797	SlogP: 3.3151	Reactive groups: 0

Topological Properties
Globularity: 0.0906108	Sterimol/B1: 2.27565	Sterimol/B2: 3.70802	Sterimol/B3: 4.47887
Sterimol/B4: 9.48964	Sterimol/L: 14.2326

Surface and Volume Properties
Accessible surface: 538.012	Positive charged surface: 332.75	Negative charged surface: 205.262	Volume: 271.5
Hydrophobic surface: 452.662	Hydrophilic surface: 85.35

Pharmacophoric Properties
Hydrogen bond donors: 2	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.