MMsINC Database Search


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MMsINC code: MMs02856627

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

O=C(c1ccccc1C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C20H16O/c1-15-7-5-6-10-19(15)20(21)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.762 kcal/mol

Physical Properties
Molecular Weight: 272.347 g/mol	logS: -6.35799	SlogP: 4.89302	Reactive groups: 0

Topological Properties
Globularity: 0.0817526	Sterimol/B1: 2.32523	Sterimol/B2: 4.37277	Sterimol/B3: 4.64612
Sterimol/B4: 6.05703	Sterimol/L: 16.0274

Surface and Volume Properties
Accessible surface: 519.316	Positive charged surface: 255.718	Negative charged surface: 251.839	Volume: 284.875
Hydrophobic surface: 488.882	Hydrophilic surface: 30.434

Pharmacophoric Properties
Hydrogen bond donors: 0	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.