MMsINC Database Search


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MMsINC code: MMs03153800

Type: Neutral
Formula: C₁₉H₂₁N₃

SMILES:

n1cc(n(C)c1NCc1cc(ccc1)C)-c1ccc(cc1)C

InChI:

InChI=1/C19H21N3/c1-14-7-9-17(10-8-14)18-13-21-19(22(18)3)20-12-16-6-4-5-15(2)11-16/h4-11,13H,12H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.2776 kcal/mol

Physical Properties
Molecular Weight: 291.398 g/mol	logS: -5.39223	SlogP: 4.94164	Reactive groups: 0

Topological Properties
Globularity: 0.0530219	Sterimol/B1: 2.95594	Sterimol/B2: 3.95867	Sterimol/B3: 4.43485
Sterimol/B4: 5.28188	Sterimol/L: 18.4135

Surface and Volume Properties
Accessible surface: 584.253	Positive charged surface: 391.275	Negative charged surface: 192.978	Volume: 310.125
Hydrophobic surface: 543.399	Hydrophilic surface: 40.854

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.