MMsINC Database Search


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MMsINC code: MMs02176107

Type: Neutral
Formula: C₂₂H₂₂O

SMILES:

OC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C22H22O/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,23H,16-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.8316 kcal/mol

Physical Properties
Molecular Weight: 302.417 g/mol	logS: -4.87611	SlogP: 4.44551	Reactive groups: 0

Topological Properties
Globularity: 0.249737	Sterimol/B1: 2.51046	Sterimol/B2: 3.31172	Sterimol/B3: 4.16328
Sterimol/B4: 10.3488	Sterimol/L: 13.008

Surface and Volume Properties
Accessible surface: 564.241	Positive charged surface: 319.031	Negative charged surface: 245.21	Volume: 324.125
Hydrophobic surface: 553.413	Hydrophilic surface: 10.828

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.