MMsINC Database Search


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

MMsINC code: MMs02874047

Type: Neutral
Formula: C₁₇H₁₀Cl₃NO₂

SMILES:

Clc1cc(Cl)cc(Cl)c1NC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C17H10Cl3NO2/c18-11-7-13(19)16(14(20)8-11)21-17(23)12-5-9-3-1-2-4-10(9)6-15(12)22/h1-8,22H,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8088 kcal/mol

Physical Properties
Molecular Weight: 366.631 g/mol	logS: -7.07367	SlogP: 5.7579	Reactive groups: 0

Topological Properties
Globularity: 0.0606538	Sterimol/B1: 2.42325	Sterimol/B2: 4.65778	Sterimol/B3: 4.78809
Sterimol/B4: 6.6566	Sterimol/L: 17.5108

Surface and Volume Properties
Accessible surface: 559.827	Positive charged surface: 201.955	Negative charged surface: 346.538	Volume: 300.625
Hydrophobic surface: 491.993	Hydrophilic surface: 67.834

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.