MMsINC Database Search


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MMsINC code: MMs03237397

Type: Neutral
Formula: C₁₉H₂₆N₂

SMILES:

N(CC)(CC)c1ccc(cc1)Cc1ccc(N(C)C)cc1

InChI:

InChI=1/C19H26N2/c1-5-21(6-2)19-13-9-17(10-14-19)15-16-7-11-18(12-8-16)20(3)4/h7-14H,5-6,15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.106 kcal/mol

Physical Properties
Molecular Weight: 282.431 g/mol	logS: -4.0105	SlogP: 4.18957	Reactive groups: 0

Topological Properties
Globularity: 0.115106	Sterimol/B1: 2.87663	Sterimol/B2: 3.24338	Sterimol/B3: 5.37239
Sterimol/B4: 6.56276	Sterimol/L: 16.308

Surface and Volume Properties
Accessible surface: 575.321	Positive charged surface: 429.491	Negative charged surface: 145.83	Volume: 316.5
Hydrophobic surface: 515.667	Hydrophilic surface: 59.654

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: no related molecules available.