MMsINC Database Search


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MMsINC code: MMs02486220

Type: Neutral
Formula: C₂₃H₁₈O₃

SMILES:

Oc1cc(c2c(cccc2)c1O)C(O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H18O3/c24-21-15-20(18-13-7-8-14-19(18)22(21)25)23(26,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,24-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.554 kcal/mol

Physical Properties
Molecular Weight: 342.394 g/mol	logS: -5.84568	SlogP: 4.8467	Reactive groups: 0

Topological Properties
Globularity: 0.234512	Sterimol/B1: 4.0022	Sterimol/B2: 4.28943	Sterimol/B3: 4.66845
Sterimol/B4: 8.00504	Sterimol/L: 13.8077

Surface and Volume Properties
Accessible surface: 558.328	Positive charged surface: 316.042	Negative charged surface: 235.483	Volume: 328.125
Hydrophobic surface: 449.205	Hydrophilic surface: 109.123

Pharmacophoric Properties
Hydrogen bond donors: 3	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.