MMsINC Database Search


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MMsINC code: MMs02199254

Type: Neutral
Formula: C₁₇H₂₀N₂

SMILES:

N(=C\c1ccc(N(C)C)cc1)/CCc1ccccc1

InChI:

InChI=1/C17H20N2/c1-19(2)17-10-8-16(9-11-17)14-18-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b18-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2401 kcal/mol

Physical Properties
Molecular Weight: 252.361 g/mol	logS: -3.24254	SlogP: 3.41417	Reactive groups: 0

Topological Properties
Globularity: 0.0171723	Sterimol/B1: 2.75951	Sterimol/B2: 3.06795	Sterimol/B3: 3.14388
Sterimol/B4: 4.67043	Sterimol/L: 18.6349

Surface and Volume Properties
Accessible surface: 545.552	Positive charged surface: 389.929	Negative charged surface: 155.623	Volume: 281.375
Hydrophobic surface: 527.909	Hydrophilic surface: 17.643

Pharmacophoric Properties
Hydrogen bond donors: 0	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.