MMsINC Database Search


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MMsINC code: MMs02328663

Type: Neutral
Formula: C₂₉H₂₂

SMILES:

C1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C29H22/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24/h1-20H,21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.083 kcal/mol

Physical Properties
Molecular Weight: 370.495 g/mol	logS: -8.05635	SlogP: 7.6121	Reactive groups: 0

Topological Properties
Globularity: 0.13929	Sterimol/B1: 2.38967	Sterimol/B2: 3.40176	Sterimol/B3: 3.83531
Sterimol/B4: 8.3211	Sterimol/L: 15.5801

Surface and Volume Properties
Accessible surface: 655.536	Positive charged surface: 388.134	Negative charged surface: 267.402	Volume: 395.875
Hydrophobic surface: 655.536	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.