MMsINC Database Search


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MMsINC code: MMs03242602

Type: Neutral
Formula: C₁₉H₂₆N₂

SMILES:

N(Cc1ccccc1)(CCN(CC)CC)c1ccccc1

InChI:

InChI=1/C19H26N2/c1-3-20(4-2)15-16-21(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14H,3-4,15-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7316 kcal/mol

Physical Properties
Molecular Weight: 282.431 g/mol	logS: -3.6325	SlogP: 4.3014	Reactive groups: 0

Topological Properties
Globularity: 0.0889103	Sterimol/B1: 2.58081	Sterimol/B2: 3.49452	Sterimol/B3: 4.32759
Sterimol/B4: 8.91594	Sterimol/L: 13.8257

Surface and Volume Properties
Accessible surface: 562.163	Positive charged surface: 369.007	Negative charged surface: 193.156	Volume: 317.75
Hydrophobic surface: 508.538	Hydrophilic surface: 53.625

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

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Ions/Tautomers related molecules

MMs03242603
PUBCHEM-ZINC05333435