MMsINC Database Search


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MMsINC code: MMs00745477

Type: Neutral
Formula: C₂₀H₂₄O₄

SMILES:

O(CCOCCOc1ccccc1)c1ccc(cc1OC)CC=C

InChI:

InChI=1/C20H24O4/c1-3-7-17-10-11-19(20(16-17)21-2)24-15-13-22-12-14-23-18-8-5-4-6-9-18/h3-6,8-11,16H,1,7,12-15H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.045 kcal/mol

Physical Properties
Molecular Weight: 328.408 g/mol	logS: -4.94461	SlogP: 3.89807	Reactive groups: 0

Topological Properties
Globularity: 0.107601	Sterimol/B1: 2.38412	Sterimol/B2: 2.75259	Sterimol/B3: 7.01468
Sterimol/B4: 7.51674	Sterimol/L: 19.4023

Surface and Volume Properties
Accessible surface: 674.125	Positive charged surface: 485.378	Negative charged surface: 188.748	Volume: 339.75
Hydrophobic surface: 605.07	Hydrophilic surface: 69.055

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.