MMsINC Database Search


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MMsINC code: MMs00049541

Type: Neutral
Formula: C₁₁H₄Cl₆O₂

SMILES:

ClC12c3c(C(Cl)(C1(Cl)Cl)C(Cl)=C2Cl)c(O)ccc3O

InChI:

InChI=1/C11H4Cl6O2/c12-7-8(13)10(15)6-4(19)2-1-3(18)5(6)9(7,14)11(10,16)17/h1-2,18-19H/t9-,10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.765 kcal/mol

Physical Properties
Molecular Weight: 380.869 g/mol	logS: -6.19034	SlogP: 6.117	Reactive groups: 0

Topological Properties
Globularity: 0.27913	Sterimol/B1: 4.26875	Sterimol/B2: 4.399	Sterimol/B3: 5.09711
Sterimol/B4: 5.32527	Sterimol/L: 10.6186

Surface and Volume Properties
Accessible surface: 456.327	Positive charged surface: 100.836	Negative charged surface: 355.491	Volume: 259.5
Hydrophobic surface: 203.189	Hydrophilic surface: 253.138

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.