MMsINC Database Search


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MMsINC code: MMs02300576

Type: Neutral
Formula: C₂₄H₁₈

SMILES:

c1ccc(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.302 kcal/mol

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

Topological Properties
Globularity: 0.120848	Sterimol/B1: 3.07026	Sterimol/B2: 3.68745	Sterimol/B3: 5.42285
Sterimol/B4: 6.74207	Sterimol/L: 14.6393

Surface and Volume Properties
Accessible surface: 547.061	Positive charged surface: 315.119	Negative charged surface: 223.518	Volume: 325
Hydrophobic surface: 547.061	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.