MMsINC Database Search


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MMsINC code: MMs02550291

Type: Neutral
Formula: C₂₂H₂₂O₃

SMILES:

O(C)c1ccc(cc1)C(O)(c1cc(ccc1)C)c1ccc(OC)cc1

InChI:

InChI=1/C22H22O3/c1-16-5-4-6-19(15-16)22(23,17-7-11-20(24-2)12-8-17)18-9-13-21(25-3)14-10-18/h4-15,23H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.084 kcal/mol

Physical Properties
Molecular Weight: 334.415 g/mol	logS: -5.26638	SlogP: 4.60792	Reactive groups: 0

Topological Properties
Globularity: 0.25595	Sterimol/B1: 2.08013	Sterimol/B2: 2.94242	Sterimol/B3: 6.51045
Sterimol/B4: 8.64171	Sterimol/L: 15.6639

Surface and Volume Properties
Accessible surface: 601.825	Positive charged surface: 406.003	Negative charged surface: 195.822	Volume: 337.25
Hydrophobic surface: 559.157	Hydrophilic surface: 42.668

Pharmacophoric Properties
Hydrogen bond donors: 1	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.