MMsINC Database Search


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MMsINC code: MMs02366066

Type: Neutral
Formula: C₂₄H₁₈

SMILES:

c1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.949 kcal/mol

Physical Properties
Molecular Weight: 306.408 g/mol	logS: -8.66402	SlogP: 6.6876	Reactive groups: 0

Topological Properties
Globularity: 9.79863e-07	Sterimol/B1: 2.10202	Sterimol/B2: 2.10229	Sterimol/B3: 2.63133
Sterimol/B4: 12.1911	Sterimol/L: 14.6315

Surface and Volume Properties
Accessible surface: 582.903	Positive charged surface: 245.87	Negative charged surface: 303.819	Volume: 325.875
Hydrophobic surface: 582.903	Hydrophilic surface: 0

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: 1

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Ions/Tautomers related molecules: no related molecules available.