MMsINC Database Search


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MMsINC code: MMs02820010

Type: Neutral
Formula: C₂₈H₂₁N

SMILES:

n1(c(c(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C28H21N/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/h1-21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.949 kcal/mol

Physical Properties
Molecular Weight: 371.483 g/mol	logS: -8.76271	SlogP: 7.4783	Reactive groups: 0

Topological Properties
Globularity: 0.0952529	Sterimol/B1: 3.24967	Sterimol/B2: 3.44558	Sterimol/B3: 3.72518
Sterimol/B4: 8.42846	Sterimol/L: 15.3536

Surface and Volume Properties
Accessible surface: 642.423	Positive charged surface: 362.277	Negative charged surface: 280.146	Volume: 390.75
Hydrophobic surface: 637.61	Hydrophilic surface: 4.813

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.