MMsINC Database Search


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MMsINC code: MMs03285294

Type: Neutral
Formula: C₂₇H₁₇O+

SMILES:

[o+]1c-2c(-c3c4c-2cccc4ccc3)c(cc1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C27H17O/c1-3-9-18(10-4-1)23-17-24(19-11-5-2-6-12-19)28-27-22-16-8-14-20-13-7-15-21(25(20)22)26(23)27/h1-17H/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=189.81 kcal/mol

Physical Properties
Molecular Weight: 357.432 g/mol	logS: -11.1333	SlogP: 7.6953	Reactive groups: 0

Topological Properties
Globularity: 0.0259732	Sterimol/B1: 2.45118	Sterimol/B2: 3.0871	Sterimol/B3: 3.09978
Sterimol/B4: 11.9762	Sterimol/L: 15.9073

Surface and Volume Properties
Accessible surface: 607.244	Positive charged surface: 300.125	Negative charged surface: 272.709	Volume: 358.25
Hydrophobic surface: 588.057	Hydrophilic surface: 19.187

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.