MMsINC Database Search


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MMsINC code: MMs02395451

Type: Neutral
Formula: C₂₈H₂₈N₂

SMILES:

N(C(C(N(C)c1ccccc1)c1ccccc1)c1ccccc1)(C)c1ccccc1

InChI:

InChI=1/C28H28N2/c1-29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(2)26-21-13-6-14-22-26/h3-22,27-28H,1-2H3/t27-,28-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=298.423 kcal/mol

Physical Properties
Molecular Weight: 392.546 g/mol	logS: -6.56984	SlogP: 6.9328	Reactive groups: 0

Topological Properties
Globularity: 0.36418	Sterimol/B1: 3.83228	Sterimol/B2: 4.7242	Sterimol/B3: 5.5776
Sterimol/B4: 9.90154	Sterimol/L: 13.5189

Surface and Volume Properties
Accessible surface: 617.459	Positive charged surface: 372.882	Negative charged surface: 244.577	Volume: 408.625
Hydrophobic surface: 616.676	Hydrophilic surface: 0.7829999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.