MMsINC Database Search


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MMsINC code: MMs00984294

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(NC1CCCCC1)C(n1cccc1)Cc1ccccc1

InChI:

InChI=1/C19H24N2O/c22-19(20-17-11-5-2-6-12-17)18(21-13-7-8-14-21)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17-18H,2,5-6,11-12,15H2,(H,20,22)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.357 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.19519	SlogP: 3.81627	Reactive groups: 0

Topological Properties
Globularity: 0.0677226	Sterimol/B1: 3.22857	Sterimol/B2: 3.38937	Sterimol/B3: 3.92601
Sterimol/B4: 6.55928	Sterimol/L: 16.6093

Surface and Volume Properties
Accessible surface: 565.481	Positive charged surface: 379.28	Negative charged surface: 186.201	Volume: 314.625
Hydrophobic surface: 525.827	Hydrophilic surface: 39.654

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.