MMsINC Database Search


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MMsINC code: MMs00745803

Type: Neutral
Formula: C₁₉H₂₃ClO₄

SMILES:

Clc1ccc(cc1OCCOCCOc1ccc(OCC)cc1)C

InChI:

InChI=1/C19H23ClO4/c1-3-22-16-5-7-17(8-6-16)23-12-10-21-11-13-24-19-14-15(2)4-9-18(19)20/h4-9,14H,3,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9912 kcal/mol

Physical Properties
Molecular Weight: 350.842 g/mol	logS: -5.00842	SlogP: 4.52152	Reactive groups: 0

Topological Properties
Globularity: 0.0692878	Sterimol/B1: 2.55624	Sterimol/B2: 4.49867	Sterimol/B3: 5.18334
Sterimol/B4: 7.29516	Sterimol/L: 19.7327

Surface and Volume Properties
Accessible surface: 684.779	Positive charged surface: 443.393	Negative charged surface: 241.386	Volume: 341.375
Hydrophobic surface: 644.236	Hydrophilic surface: 40.543

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.