MMsINC Database Search


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MMsINC code: MMs00478479

Type: Neutral
Formula: C₂₃H₁₆O₃

SMILES:

Oc1c(-c2ccccc2)c(O)c2c(cccc2)c1C(=O)c1ccccc1

InChI:

InChI=1/C23H16O3/c24-21(16-11-5-2-6-12-16)20-17-13-7-8-14-18(17)22(25)19(23(20)26)15-9-3-1-4-10-15/h1-14,25-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.859 kcal/mol

Physical Properties
Molecular Weight: 340.378 g/mol	logS: -7.03805	SlogP: 5.149	Reactive groups: 0

Topological Properties
Globularity: 0.12214	Sterimol/B1: 2.74151	Sterimol/B2: 4.06009	Sterimol/B3: 4.5283
Sterimol/B4: 8.69258	Sterimol/L: 15.058

Surface and Volume Properties
Accessible surface: 587.114	Positive charged surface: 309.275	Negative charged surface: 268.981	Volume: 330.875
Hydrophobic surface: 493.667	Hydrophilic surface: 93.447

Pharmacophoric Properties
Hydrogen bond donors: 2	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.