MMsINC Database Search


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MMsINC code: MMs02294201

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

N(Cc1ccccc1)(CCN(Cc1ccccc1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9524 kcal/mol

Physical Properties
Molecular Weight: 268.404 g/mol	logS: -2.92212	SlogP: 3.7832	Reactive groups: 0

Topological Properties
Globularity: 0.0412527	Sterimol/B1: 2.32483	Sterimol/B2: 2.69263	Sterimol/B3: 3.93168
Sterimol/B4: 5.71677	Sterimol/L: 18.3498

Surface and Volume Properties
Accessible surface: 558.097	Positive charged surface: 394.922	Negative charged surface: 163.175	Volume: 302.125
Hydrophobic surface: 543.974	Hydrophilic surface: 14.123

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02294202
NCID-ZINC01655622