MMsINC Database Search


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MMsINC code: MMs00103269

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C(N1CCN(CC1)C(=O)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C19H20N2O2/c22-18(15-16-7-3-1-4-8-16)20-11-13-21(14-12-20)19(23)17-9-5-2-6-10-17/h1-10H,11-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.334 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.46981	SlogP: 2.21367	Reactive groups: 0

Topological Properties
Globularity: 0.0674231	Sterimol/B1: 3.51686	Sterimol/B2: 3.80982	Sterimol/B3: 3.90131
Sterimol/B4: 5.25891	Sterimol/L: 17.6571

Surface and Volume Properties
Accessible surface: 566.715	Positive charged surface: 361.118	Negative charged surface: 205.597	Volume: 308.5
Hydrophobic surface: 510.222	Hydrophilic surface: 56.493

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.