MMsINC Database Search


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MMsINC code: MMs02825760

Type: Neutral
Formula: C₁₅H₁₀Cl₂O₂

SMILES:

Clc1cc(Cl)ccc1C(O)c1oc2c(c1)cccc2

InChI:

InChI=1/C15H10Cl2O2/c16-10-5-6-11(12(17)8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15,18H/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.1897 kcal/mol

Physical Properties
Molecular Weight: 293.149 g/mol	logS: -5.99063	SlogP: 4.9168	Reactive groups: 0

Topological Properties
Globularity: 0.149656	Sterimol/B1: 3.87272	Sterimol/B2: 4.38171	Sterimol/B3: 4.51817
Sterimol/B4: 5.14348	Sterimol/L: 14.1694

Surface and Volume Properties
Accessible surface: 483.634	Positive charged surface: 192.578	Negative charged surface: 285.213	Volume: 252
Hydrophobic surface: 438.852	Hydrophilic surface: 44.782

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.