MMsINC Database Search


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MMsINC code: MMs02958670

Type: Neutral
Formula: C₂₃H₁₈O₄

SMILES:

O1C(=C\C(=C/c2cc(OC)ccc2OC)\C1=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H18O4/c1-25-18-10-11-21(26-2)16(13-18)12-17-14-22(27-23(17)24)20-9-5-7-15-6-3-4-8-19(15)20/h3-14H,1-2H3/b17-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.091 kcal/mol

Physical Properties
Molecular Weight: 358.393 g/mol	logS: -7.06898	SlogP: 4.8383	Reactive groups: 0

Topological Properties
Globularity: 0.0946748	Sterimol/B1: 2.35799	Sterimol/B2: 3.40757	Sterimol/B3: 5.81707
Sterimol/B4: 9.9256	Sterimol/L: 16.5793

Surface and Volume Properties
Accessible surface: 620.195	Positive charged surface: 389.04	Negative charged surface: 221.415	Volume: 346.5
Hydrophobic surface: 544.748	Hydrophilic surface: 75.447

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.