MMsINC Database Search


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MMsINC code: MMs02869765

Type: Neutral
Formula: C₂₈H₂₀O

SMILES:

o1c2c(cc(cc2)\C=C\c2ccccc2)c2cc(ccc12)\C=C\c1ccccc1

InChI:

InChI=1/C28H20O/c1-3-7-21(8-4-1)11-13-23-15-17-27-25(19-23)26-20-24(16-18-28(26)29-27)14-12-22-9-5-2-6-10-22/h1-20H/b13-11+,14-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.085 kcal/mol

Physical Properties
Molecular Weight: 372.467 g/mol	logS: -10.4253	SlogP: 7.9268	Reactive groups: 0

Topological Properties
Globularity: 2.03207e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10559	Sterimol/B3: 2.8731
Sterimol/B4: 8.61537	Sterimol/L: 22.518

Surface and Volume Properties
Accessible surface: 698.739	Positive charged surface: 338.41	Negative charged surface: 349.472	Volume: 386.625
Hydrophobic surface: 686.464	Hydrophilic surface: 12.275

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.