MMsINC Database Search


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

MMsINC code: MMs02751055

Type: Neutral
Formula: C₂₃H₁₆O₄

SMILES:

O(C(=O)c1ccccc1)C(C(OC)=O)=C1c2c(-c3c1cccc3)cccc2

InChI:

InChI=1/C23H16O4/c1-26-23(25)21(27-22(24)15-9-3-2-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.617 kcal/mol

Physical Properties
Molecular Weight: 356.377 g/mol	logS: -6.98089	SlogP: 4.27369	Reactive groups: 0

Topological Properties
Globularity: 0.0485419	Sterimol/B1: 2.06745	Sterimol/B2: 3.45999	Sterimol/B3: 3.61121
Sterimol/B4: 11.2889	Sterimol/L: 16.4589

Surface and Volume Properties
Accessible surface: 598.2	Positive charged surface: 322.062	Negative charged surface: 266.2	Volume: 338.125
Hydrophobic surface: 544.091	Hydrophilic surface: 54.109

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.