MMsINC Database Search


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MMsINC code: MMs01870685

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O1CCN(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C19H22N2O2/c22-19(20-11-13-23-14-12-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10H,11-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.297 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -3.21963	SlogP: 3.6738	Reactive groups: 0

Topological Properties
Globularity: 0.158562	Sterimol/B1: 3.05422	Sterimol/B2: 4.53737	Sterimol/B3: 4.96724
Sterimol/B4: 7.08859	Sterimol/L: 14.0953

Surface and Volume Properties
Accessible surface: 536.792	Positive charged surface: 356.75	Negative charged surface: 180.042	Volume: 309.875
Hydrophobic surface: 492.442	Hydrophilic surface: 44.35

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.