MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02354558

Type: Neutral
Formula: C₂₄H₂₂O₄

SMILES:

O(C(=O)c1c(C)c(c(-c2ccccc2)c(C)c1C(OC)=O)-c1ccccc1)C

InChI:

InChI=1/C24H22O4/c1-15-19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)16(2)22(24(26)28-4)21(15)23(25)27-3/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.82 kcal/mol

Physical Properties
Molecular Weight: 374.436 g/mol	logS: -7.94894	SlogP: 5.21064	Reactive groups: 0

Topological Properties
Globularity: 0.100077	Sterimol/B1: 2.31039	Sterimol/B2: 3.31444	Sterimol/B3: 4.26221
Sterimol/B4: 8.04511	Sterimol/L: 13.8498

Surface and Volume Properties
Accessible surface: 624.157	Positive charged surface: 414.762	Negative charged surface: 207.734	Volume: 371.75
Hydrophobic surface: 566.156	Hydrophilic surface: 58.001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.