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MMsINC code: MMs00117345

Type: Neutral
Formula: C₁₉H₂₈N₂O₂

SMILES:

O(CC(=O)N1CCN(CC1)C1CCCCC1)c1cc(ccc1)C

InChI:

InChI=1/C19H28N2O2/c1-16-6-5-9-18(14-16)23-15-19(22)21-12-10-20(11-13-21)17-7-3-2-4-8-17/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7331 kcal/mol

Physical Properties
Molecular Weight: 316.445 g/mol	logS: -3.49363	SlogP: 2.85072	Reactive groups: 0

Topological Properties
Globularity: 0.0545679	Sterimol/B1: 3.25445	Sterimol/B2: 4.3175	Sterimol/B3: 4.80639
Sterimol/B4: 5.04878	Sterimol/L: 18.5979

Surface and Volume Properties
Accessible surface: 606.032	Positive charged surface: 442.303	Negative charged surface: 163.729	Volume: 328.625
Hydrophobic surface: 561.79	Hydrophilic surface: 44.242

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00117347
ASINEX-ZINC00317032