MMsINC Database Search


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MMsINC code: MMs02336496

Type: Neutral
Formula: C₂₈H₂₀

SMILES:

c12c(cc(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)cccc2

InChI:

InChI=1/C28H20/c1-4-12-21(13-5-1)26-20-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22)28(26)23-16-8-3-9-17-23/h1-20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.132 kcal/mol

Physical Properties
Molecular Weight: 356.468 g/mol	logS: -10.5419	SlogP: 7.8408	Reactive groups: 0

Topological Properties
Globularity: 0.129602	Sterimol/B1: 3.20016	Sterimol/B2: 3.92963	Sterimol/B3: 5.86068
Sterimol/B4: 6.99235	Sterimol/L: 14.0142

Surface and Volume Properties
Accessible surface: 597.041	Positive charged surface: 348.314	Negative charged surface: 235.212	Volume: 374.875
Hydrophobic surface: 597.041	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: 0

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Ions/Tautomers related molecules: no related molecules available.