MMsINC Database Search


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MMsINC code: MMs02205112

Type: Neutral
Formula: C₂₅H₂₂O₃

SMILES:

O(C)c1ccccc1C(O)(c1c2c(ccc1)c(OC)ccc2)c1ccccc1

InChI:

InChI=1/C25H22O3/c1-27-23-17-9-12-19-20(23)13-8-15-21(19)25(26,18-10-4-3-5-11-18)22-14-6-7-16-24(22)28-2/h3-17,26H,1-2H3/t25-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.123 kcal/mol

Physical Properties
Molecular Weight: 370.448 g/mol	logS: -6.67034	SlogP: 5.4527	Reactive groups: 0

Topological Properties
Globularity: 0.227853	Sterimol/B1: 2.26123	Sterimol/B2: 4.42436	Sterimol/B3: 7.09361
Sterimol/B4: 7.21645	Sterimol/L: 15.5165

Surface and Volume Properties
Accessible surface: 600.962	Positive charged surface: 400.706	Negative charged surface: 192.986	Volume: 365.5
Hydrophobic surface: 573.652	Hydrophilic surface: 27.31

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.