MMsINC Database Search


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MMsINC code: MMs02708234

Type: Neutral
Formula: C₁₉H₂₅N₃

SMILES:

N(C)(C)c1ccc(cc1)CNc1ccc(N2CCCC2)cc1

InChI:

InChI=1/C19H25N3/c1-21(2)18-9-5-16(6-10-18)15-20-17-7-11-19(12-8-17)22-13-3-4-14-22/h5-12,20H,3-4,13-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.303 kcal/mol

Physical Properties
Molecular Weight: 295.43 g/mol	logS: -3.35644	SlogP: 4.2313	Reactive groups: 0

Topological Properties
Globularity: 0.0440524	Sterimol/B1: 2.64822	Sterimol/B2: 3.03256	Sterimol/B3: 4.05935
Sterimol/B4: 4.29093	Sterimol/L: 19.3333

Surface and Volume Properties
Accessible surface: 589.002	Positive charged surface: 451.213	Negative charged surface: 137.789	Volume: 319
Hydrophobic surface: 555.097	Hydrophilic surface: 33.905

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.