MMsINC Database Search


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MMsINC code: MMs02280316

Type: Neutral
Formula: C₂₂H₁₈O

SMILES:

O=C(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C22H18O/c1-17(23)21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.496 kcal/mol

Physical Properties
Molecular Weight: 298.385 g/mol	logS: -5.75795	SlogP: 5.05199	Reactive groups: 1

Topological Properties
Globularity: 0.18989	Sterimol/B1: 2.34868	Sterimol/B2: 3.42475	Sterimol/B3: 3.7158
Sterimol/B4: 9.91639	Sterimol/L: 14.3609

Surface and Volume Properties
Accessible surface: 537.098	Positive charged surface: 324.2	Negative charged surface: 212.898	Volume: 314.625
Hydrophobic surface: 519.751	Hydrophilic surface: 17.347

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.