MMsINC Database Search


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MMsINC code: MMs03777891

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

Oc1cc(O)c(cc1C(=O)\C=C\c1ccccc1)C(=O)\C=C\c1ccccc1

InChI:

InChI=1/C24H18O4/c25-21(13-11-17-7-3-1-4-8-17)19-15-20(24(28)16-23(19)27)22(26)14-12-18-9-5-2-6-10-18/h1-16,27-28H/b13-11+,14-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.582 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -5.81824	SlogP: 4.89	Reactive groups: 1

Topological Properties
Globularity: 0.00300236	Sterimol/B1: 2.12538	Sterimol/B2: 2.19402	Sterimol/B3: 2.5647
Sterimol/B4: 11.7755	Sterimol/L: 14.5886

Surface and Volume Properties
Accessible surface: 627.208	Positive charged surface: 296.616	Negative charged surface: 330.592	Volume: 361.375
Hydrophobic surface: 483.262	Hydrophilic surface: 143.946

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.