MMsINC Database Search


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MMsINC code: MMs00283501

Type: Neutral
Formula: C₃₀H₂₃O+

SMILES:

[o+]1c(cc(cc1C)-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C30H23O/c1-22-20-29(27-14-12-25(13-15-27)23-8-4-2-5-9-23)21-30(31-22)28-18-16-26(17-19-28)24-10-6-3-7-11-24/h2-21H,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.928 kcal/mol

Physical Properties
Molecular Weight: 399.513 g/mol	logS: -11.2455	SlogP: 8.53712	Reactive groups: 0

Topological Properties
Globularity: 0.000958426	Sterimol/B1: 1.969	Sterimol/B2: 2.10417	Sterimol/B3: 2.51214
Sterimol/B4: 10.7338	Sterimol/L: 22.2809

Surface and Volume Properties
Accessible surface: 708.724	Positive charged surface: 337.619	Negative charged surface: 333.698	Volume: 417.625
Hydrophobic surface: 700.099	Hydrophilic surface: 8.625

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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.