MMsINC Database Search


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MMsINC code: MMs03176585

Type: Neutral
Formula: C₃₀H₂₃O+

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.642 kcal/mol

Physical Properties
Molecular Weight: 399.513 g/mol	logS: -11.3748	SlogP: 8.53712	Reactive groups: 0

Topological Properties
Globularity: 0.0956175	Sterimol/B1: 3.34652	Sterimol/B2: 3.69701	Sterimol/B3: 3.96801
Sterimol/B4: 10.5809	Sterimol/L: 15.9818

Surface and Volume Properties
Accessible surface: 688.927	Positive charged surface: 398.962	Negative charged surface: 280.691	Volume: 415.75
Hydrophobic surface: 680.353	Hydrophilic surface: 8.5740000000001

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.