MMsINC Database Search


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MMsINC code: MMs02283701

Type: Neutral
Formula: C₂₁H₂₀O

SMILES:

OC(Cc1ccccc1)(Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C21H20O/c22-21(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,22H,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0742 kcal/mol

Physical Properties
Molecular Weight: 288.39 g/mol	logS: -4.81464	SlogP: 4.67104	Reactive groups: 0

Topological Properties
Globularity: 0.181104	Sterimol/B1: 3.59465	Sterimol/B2: 3.82557	Sterimol/B3: 5.17321
Sterimol/B4: 5.48027	Sterimol/L: 13.5403

Surface and Volume Properties
Accessible surface: 523.27	Positive charged surface: 303.907	Negative charged surface: 219.363	Volume: 307.875
Hydrophobic surface: 511.176	Hydrophilic surface: 12.094

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.