MMsINC Database Search


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MMsINC code: MMs02847560

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(CCN1CC(c2c1cccc2)(C)c1ccccc1)(C)C

InChI:

InChI=1/C19H24N2/c1-19(16-9-5-4-6-10-16)15-21(14-13-20(2)3)18-12-8-7-11-17(18)19/h4-12H,13-15H2,1-3H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.113 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.23828	SlogP: 3.3742	Reactive groups: 0

Topological Properties
Globularity: 0.119285	Sterimol/B1: 2.4	Sterimol/B2: 2.49199	Sterimol/B3: 4.79226
Sterimol/B4: 7.12438	Sterimol/L: 15.8472

Surface and Volume Properties
Accessible surface: 533.617	Positive charged surface: 382.96	Negative charged surface: 150.657	Volume: 304.25
Hydrophobic surface: 501.17	Hydrophilic surface: 32.447

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02847561
PUBCHEM-ZINC02008203