MMsINC Database Search


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MMsINC code: MMs00715299

Type: Neutral
Formula: C₁₆H₁₂Cl₄O₃

SMILES:

Clc1cc(Cl)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl

InChI:

InChI=1/C16H12Cl4O3/c17-10-3-5-14(12(19)8-10)22-7-1-2-16(21)23-15-6-4-11(18)9-13(15)20/h3-6,8-9H,1-2,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.996 kcal/mol

Physical Properties
Molecular Weight: 394.081 g/mol	logS: -6.59661	SlogP: 6.0648	Reactive groups: 0

Topological Properties
Globularity: 0.03881	Sterimol/B1: 2.50848	Sterimol/B2: 3.87563	Sterimol/B3: 4.63285
Sterimol/B4: 6.31488	Sterimol/L: 20.9291

Surface and Volume Properties
Accessible surface: 620.518	Positive charged surface: 230.111	Negative charged surface: 390.408	Volume: 318
Hydrophobic surface: 591.417	Hydrophilic surface: 29.101

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

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Ions/Tautomers related molecules: no related molecules available.