MMsINC Database Search


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MMsINC code: MMs03542785

Type: Neutral
Formula: C₂₁H₂₀O₂

SMILES:

O(CCO)c1ccc(cc1)-c1ccc(cc1)Cc1ccccc1

InChI:

InChI=1/C21H20O2/c22-14-15-23-21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-13,22H,14-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8623 kcal/mol

Physical Properties
Molecular Weight: 304.389 g/mol	logS: -5.77548	SlogP: 4.31547	Reactive groups: 0

Topological Properties
Globularity: 0.0598862	Sterimol/B1: 2.39661	Sterimol/B2: 3.52921	Sterimol/B3: 4.73806
Sterimol/B4: 5.83499	Sterimol/L: 18.4662

Surface and Volume Properties
Accessible surface: 599.163	Positive charged surface: 355.184	Negative charged surface: 232.908	Volume: 316.125
Hydrophobic surface: 539.599	Hydrophilic surface: 59.564

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.