MMsINC Database Search


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MMsINC code: MMs01486785

Type: Neutral
Formula: C₂₁H₁₈O₄

SMILES:

O(C)c1cc2c(cc1C(Oc1ccc(cc1)C(=O)CC)=O)cccc2

InChI:

InChI=1/C21H18O4/c1-3-19(22)14-8-10-17(11-9-14)25-21(23)18-12-15-6-4-5-7-16(15)13-20(18)24-2/h4-13H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.131 kcal/mol

Physical Properties
Molecular Weight: 334.371 g/mol	logS: -5.94124	SlogP: 4.6603	Reactive groups: 0

Topological Properties
Globularity: 0.0301064	Sterimol/B1: 3.07081	Sterimol/B2: 4.05797	Sterimol/B3: 4.99654
Sterimol/B4: 6.08682	Sterimol/L: 19.5777

Surface and Volume Properties
Accessible surface: 605.343	Positive charged surface: 371.427	Negative charged surface: 224.181	Volume: 324.625
Hydrophobic surface: 522.388	Hydrophilic surface: 82.955

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.