MMsINC Database Search


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MMsINC code: MMs01337648

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₄

SMILES:

Clc1cc(Cl)ccc1COC(=O)c1cccc(OC)c1O

InChI:

InChI=1/C15H12Cl2O4/c1-20-13-4-2-3-11(14(13)18)15(19)21-8-9-5-6-10(16)7-12(9)17/h2-7,18H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6188 kcal/mol

Physical Properties
Molecular Weight: 327.163 g/mol	logS: -4.69152	SlogP: 4.331	Reactive groups: 0

Topological Properties
Globularity: 0.00669357	Sterimol/B1: 2.393	Sterimol/B2: 2.39659	Sterimol/B3: 4.34961
Sterimol/B4: 4.86676	Sterimol/L: 17.7517

Surface and Volume Properties
Accessible surface: 547.769	Positive charged surface: 273.273	Negative charged surface: 274.497	Volume: 277
Hydrophobic surface: 461.918	Hydrophilic surface: 85.851

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.