MMsINC Database Search


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MMsINC code: MMs00590091

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

O1c2c(ccc(OC(=O)c3ccccc3C)c2)C(=CC1=O)C

InChI:

InChI=1/C18H14O4/c1-11-5-3-4-6-15(11)18(20)21-13-7-8-14-12(2)9-17(19)22-16(14)10-13/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.02 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -5.68938	SlogP: 3.53652	Reactive groups: 0

Topological Properties
Globularity: 0.0808938	Sterimol/B1: 2.39624	Sterimol/B2: 2.40743	Sterimol/B3: 4.91967
Sterimol/B4: 5.78834	Sterimol/L: 16.29

Surface and Volume Properties
Accessible surface: 529.963	Positive charged surface: 290.861	Negative charged surface: 239.101	Volume: 277.5
Hydrophobic surface: 443.209	Hydrophilic surface: 86.754

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.