MMsINC Database Search


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MMsINC code: MMs00487567

Type: Neutral
Formula: C₂₁H₁₄O₄

SMILES:

o1cc(c2cc(O)ccc12)C(=O)c1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C21H14O4/c22-15-8-11-20-18(12-15)19(13-24-20)21(23)14-6-9-17(10-7-14)25-16-4-2-1-3-5-16/h1-13,22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.962 kcal/mol

Physical Properties
Molecular Weight: 330.339 g/mol	logS: -6.32378	SlogP: 5.1617	Reactive groups: 0

Topological Properties
Globularity: 0.046492	Sterimol/B1: 2.70455	Sterimol/B2: 3.1861	Sterimol/B3: 5.06238
Sterimol/B4: 5.25795	Sterimol/L: 18.4196

Surface and Volume Properties
Accessible surface: 573.151	Positive charged surface: 293.234	Negative charged surface: 273.875	Volume: 309
Hydrophobic surface: 477.156	Hydrophilic surface: 95.995

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

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Ions/Tautomers related molecules: no related molecules available.