MMsINC Database Search


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

MMsINC code: MMs00621756

Type: Neutral
Formula: C₉H₇Cl₄NO

SMILES:

Clc1ccccc1CNC(=O)C(Cl)(Cl)Cl

InChI:

InChI=1/C9H7Cl4NO/c10-7-4-2-1-3-6(7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9712 kcal/mol

Physical Properties
Molecular Weight: 286.973 g/mol	logS: -4.67306	SlogP: 4.0127	Reactive groups: 0

Topological Properties
Globularity: 0.116828	Sterimol/B1: 2.6509	Sterimol/B2: 3.77304	Sterimol/B3: 3.82063
Sterimol/B4: 5.61386	Sterimol/L: 13.435

Surface and Volume Properties
Accessible surface: 443.583	Positive charged surface: 123.672	Negative charged surface: 319.91	Volume: 220.5
Hydrophobic surface: 233.247	Hydrophilic surface: 210.336

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