MMsINC Database Search


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MMsINC code: MMs01390441

Type: Neutral
Formula: C₂₄H₂₂O₄

SMILES:

O(C(=O)CC(c1ccccc1)c1ccccc1)c1cc(OC)ccc1C(=O)C

InChI:

InChI=1/C24H22O4/c1-17(25)21-14-13-20(27-2)15-23(21)28-24(26)16-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,22H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.544 kcal/mol

Physical Properties
Molecular Weight: 374.436 g/mol	logS: -5.44744	SlogP: 5.0254	Reactive groups: 0

Topological Properties
Globularity: 0.0901862	Sterimol/B1: 2.37077	Sterimol/B2: 3.92529	Sterimol/B3: 4.435
Sterimol/B4: 10.3619	Sterimol/L: 17.1269

Surface and Volume Properties
Accessible surface: 653.853	Positive charged surface: 406.273	Negative charged surface: 247.581	Volume: 367.25
Hydrophobic surface: 601.571	Hydrophilic surface: 52.282

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.