MMsINC Database Search


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MMsINC code: MMs02400170

Type: Neutral
Formula: C₂₁H₂₀O

SMILES:

OC(c1ccccc1C)(c1ccccc1C)c1ccccc1

InChI:

InChI=1/C21H20O/c1-16-10-6-8-14-19(16)21(22,18-12-4-3-5-13-18)20-15-9-7-11-17(20)2/h3-15,22H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.271 kcal/mol

Physical Properties
Molecular Weight: 288.39 g/mol	logS: -5.63954	SlogP: 4.89914	Reactive groups: 0

Topological Properties
Globularity: 0.322681	Sterimol/B1: 2.78242	Sterimol/B2: 4.15847	Sterimol/B3: 5.17908
Sterimol/B4: 7.21361	Sterimol/L: 12.0261

Surface and Volume Properties
Accessible surface: 507.053	Positive charged surface: 293.391	Negative charged surface: 213.662	Volume: 301.125
Hydrophobic surface: 492.42	Hydrophilic surface: 14.633

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.