MMsINC Database Search


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MMsINC code: MMs02696301

Type: Neutral
Formula: C₂₁H₁₈O₄

SMILES:

O(CC(Oc1ccc(cc1)-c1ccccc1)=O)c1ccccc1OC

InChI:

InChI=1/C21H18O4/c1-23-19-9-5-6-10-20(19)24-15-21(22)25-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.617 kcal/mol

Physical Properties
Molecular Weight: 334.371 g/mol	logS: -6.05252	SlogP: 4.3466	Reactive groups: 0

Topological Properties
Globularity: 0.0379652	Sterimol/B1: 2.43244	Sterimol/B2: 3.09089	Sterimol/B3: 4.33835
Sterimol/B4: 7.33247	Sterimol/L: 20.2927

Surface and Volume Properties
Accessible surface: 623.693	Positive charged surface: 366.52	Negative charged surface: 247.137	Volume: 328
Hydrophobic surface: 569.029	Hydrophilic surface: 54.664

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.