MMsINC Database Search


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MMsINC code: MMs00745779

Type: Neutral
Formula: C₁₅H₁₅ClO₃

SMILES:

Clc1ccccc1OCCOc1cc(OC)ccc1

InChI:

InChI=1/C15H15ClO3/c1-17-12-5-4-6-13(11-12)18-9-10-19-15-8-3-2-7-14(15)16/h2-8,11H,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6448 kcal/mol

Physical Properties
Molecular Weight: 278.735 g/mol	logS: -4.06465	SlogP: 3.8064	Reactive groups: 0

Topological Properties
Globularity: 0.0368605	Sterimol/B1: 2.51163	Sterimol/B2: 2.75744	Sterimol/B3: 4.48238
Sterimol/B4: 5.41128	Sterimol/L: 16.9141

Surface and Volume Properties
Accessible surface: 534.713	Positive charged surface: 319.066	Negative charged surface: 215.647	Volume: 260.625
Hydrophobic surface: 518.489	Hydrophilic surface: 16.224

Pharmacophoric Properties
Hydrogen bond donors: 0	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.