MMsINC Database Search


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MMsINC code: MMs02932969

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1C(=C\C(=C\c2cc(OC)c(O)cc2)\C1=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H18O4/c1-27-23-14-16(7-12-21(23)25)13-20-15-22(28-24(20)26)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15,25H,1H3/b20-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.188 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -7.20515	SlogP: 5.0491	Reactive groups: 0

Topological Properties
Globularity: 0.0143939	Sterimol/B1: 2.10177	Sterimol/B2: 2.28555	Sterimol/B3: 4.01976
Sterimol/B4: 6.42248	Sterimol/L: 21.4592

Surface and Volume Properties
Accessible surface: 653.936	Positive charged surface: 371.911	Negative charged surface: 270.359	Volume: 356
Hydrophobic surface: 551.555	Hydrophilic surface: 102.381

Pharmacophoric Properties
Hydrogen bond donors: 1	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.