MMsINC Database Search


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MMsINC code: MMs02405639

Type: Neutral
Formula: C₂₃H₁₈O₂

SMILES:

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

InChI:

InChI=1/C23H18O2/c24-21-15-20(18-13-7-8-14-19(18)23(21)25)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,22,24-25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.226 kcal/mol

Physical Properties
Molecular Weight: 326.395 g/mol	logS: -6.2977	SlogP: 5.4312	Reactive groups: 0

Topological Properties
Globularity: 0.331157	Sterimol/B1: 2.46003	Sterimol/B2: 3.58423	Sterimol/B3: 6.1824
Sterimol/B4: 9.33706	Sterimol/L: 12.8743

Surface and Volume Properties
Accessible surface: 561.25	Positive charged surface: 311.993	Negative charged surface: 241.345	Volume: 323.75
Hydrophobic surface: 471.072	Hydrophilic surface: 90.178

Pharmacophoric Properties
Hydrogen bond donors: 2	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.