MMsINC Database Search


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

MMsINC code: MMs00606213

Type: Neutral
Formula: C₁₀H₇Cl₃N₂O

SMILES:

ClC(Cl)(Cl)C=1NC(=O)c2cc(ccc2N=1)C

InChI:

InChI=1/C10H7Cl3N2O/c1-5-2-3-7-6(4-5)8(16)15-9(14-7)10(11,12)13/h2-4H,1H3,(H,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6765 kcal/mol

Physical Properties
Molecular Weight: 277.538 g/mol	logS: -5.07313	SlogP: 3.55852	Reactive groups: 0

Topological Properties
Globularity: 0.0304925	Sterimol/B1: 3.51453	Sterimol/B2: 3.51789	Sterimol/B3: 4.28312
Sterimol/B4: 4.65572	Sterimol/L: 12.7402

Surface and Volume Properties
Accessible surface: 436.76	Positive charged surface: 149.567	Negative charged surface: 287.193	Volume: 217.625
Hydrophobic surface: 196.651	Hydrophilic surface: 240.109

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.