MMsINC Database Search


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MMsINC code: MMs03154868

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

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

InChI:

InChI=1/C18H24N2/c1-19(2)13-14-20(15-17-9-5-3-6-10-17)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)=76.975 kcal/mol

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

Topological Properties
Globularity: 0.162236	Sterimol/B1: 3.75334	Sterimol/B2: 3.80244	Sterimol/B3: 4.61623
Sterimol/B4: 7.4108	Sterimol/L: 13.8587

Surface and Volume Properties
Accessible surface: 543.294	Positive charged surface: 388.284	Negative charged surface: 155.01	Volume: 302.375
Hydrophobic surface: 528.984	Hydrophilic surface: 14.31

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

MMs03154869
PUBCHEM-ZINC04680635