MMsINC Database Search


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MMsINC code: MMs01714369

Type: Neutral
Formula: C₂₂H₂₀O₃

SMILES:

o1c2c(cc(OCCOc3c(cccc3C)C)cc2)c2c1cccc2

InChI:

InChI=1/C22H20O3/c1-15-6-5-7-16(2)22(15)24-13-12-23-17-10-11-21-19(14-17)18-8-3-4-9-20(18)25-21/h3-11,14H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2567 kcal/mol

Physical Properties
Molecular Weight: 332.399 g/mol	logS: -6.89293	SlogP: 5.66064	Reactive groups: 0

Topological Properties
Globularity: 0.0249137	Sterimol/B1: 2.53871	Sterimol/B2: 2.68486	Sterimol/B3: 4.22643
Sterimol/B4: 7.52738	Sterimol/L: 18.8993

Surface and Volume Properties
Accessible surface: 608.165	Positive charged surface: 358.125	Negative charged surface: 239.718	Volume: 332.125
Hydrophobic surface: 589.771	Hydrophilic surface: 18.394

Pharmacophoric Properties
Hydrogen bond donors: 0	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.