MMsINC Database Search


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MMsINC code: MMs03237395

Type: Neutral
Formula: C₁₉H₂₂N₂

SMILES:

[nH]1cc(c2c1cccc2)Cc1ccc(N(CC)CC)cc1

InChI:

InChI=1/C19H22N2/c1-3-21(4-2)17-11-9-15(10-12-17)13-16-14-20-19-8-6-5-7-18(16)19/h5-12,14,20H,3-4,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8862 kcal/mol

Physical Properties
Molecular Weight: 278.399 g/mol	logS: -4.05954	SlogP: 4.60487	Reactive groups: 0

Topological Properties
Globularity: 0.130922	Sterimol/B1: 2.75292	Sterimol/B2: 3.51618	Sterimol/B3: 4.78289
Sterimol/B4: 6.61035	Sterimol/L: 14.1443

Surface and Volume Properties
Accessible surface: 541.686	Positive charged surface: 350.252	Negative charged surface: 186.845	Volume: 303.625
Hydrophobic surface: 437.857	Hydrophilic surface: 103.829

Pharmacophoric Properties
Hydrogen bond donors: 1	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.