MMsINC Database Search


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MMsINC code: MMs00459309

Type: Neutral
Formula: C₂₄H₁₆O₄

SMILES:

O(C(=O)\C=C\C(Oc1c2c(ccc1)cccc2)=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H16O4/c25-23(27-21-13-5-9-17-7-1-3-11-19(17)21)15-16-24(26)28-22-14-6-10-18-8-2-4-12-20(18)22/h1-16H/b16-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.465 kcal/mol

Physical Properties
Molecular Weight: 368.388 g/mol	logS: -8.13312	SlogP: 5.0602	Reactive groups: 0

Topological Properties
Globularity: 0.0148834	Sterimol/B1: 2.45569	Sterimol/B2: 2.75748	Sterimol/B3: 3.251
Sterimol/B4: 7.31491	Sterimol/L: 18.6222

Surface and Volume Properties
Accessible surface: 638.407	Positive charged surface: 314.899	Negative charged surface: 308.554	Volume: 350.5
Hydrophobic surface: 572.251	Hydrophilic surface: 66.156

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

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Ions/Tautomers related molecules: no related molecules available.