MMsINC Database Search


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

MMsINC code: MMs02300364

Type: Neutral
Formula: C₇H₅Br₃

SMILES:

Brc1cc(Br)cc(Br)c1C

InChI:

InChI=1/C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.1908 kcal/mol

Physical Properties
Molecular Weight: 328.829 g/mol	logS: -4.81652	SlogP: 4.28252	Reactive groups: 0

Topological Properties
Globularity: 0.0273013	Sterimol/B1: 2.17538	Sterimol/B2: 2.51216	Sterimol/B3: 5.00146
Sterimol/B4: 5.00202	Sterimol/L: 10.2997

Surface and Volume Properties
Accessible surface: 380.229	Positive charged surface: 73.5661	Negative charged surface: 306.663	Volume: 188.5
Hydrophobic surface: 380.229	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.