MMsINC Database Search


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MMsINC code: MMs02337713

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

N(NC(Cc1ccccc1)C)C(Cc1ccccc1)C

InChI:

InChI=1/C18H24N2/c1-15(13-17-9-5-3-6-10-17)19-20-16(2)14-18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3/t15-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8829 kcal/mol

Physical Properties
Molecular Weight: 268.404 g/mol	logS: -3.18636	SlogP: 3.34294	Reactive groups: 1

Topological Properties
Globularity: 0.0947851	Sterimol/B1: 1.98813	Sterimol/B2: 3.19371	Sterimol/B3: 3.24932
Sterimol/B4: 8.7547	Sterimol/L: 13.0157

Surface and Volume Properties
Accessible surface: 504.073	Positive charged surface: 314.032	Negative charged surface: 190.041	Volume: 301
Hydrophobic surface: 462.17	Hydrophilic surface: 41.903

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02337714
NCID-ZINC01710513