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MMsINC code: MMs00036514

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C(N1CC(CC)C(CC1)CC(=O)NCC=C)c1ccccc1

InChI:

InChI=1/C19H26N2O2/c1-3-11-20-18(22)13-17-10-12-21(14-15(17)4-2)19(23)16-8-6-5-7-9-16/h3,5-9,15,17H,1,4,10-14H2,2H3,(H,20,22)/t15-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2468 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.32144	SlogP: 2.8672	Reactive groups: 0

Topological Properties
Globularity: 0.0903024	Sterimol/B1: 2.30076	Sterimol/B2: 3.04868	Sterimol/B3: 4.97168
Sterimol/B4: 8.91486	Sterimol/L: 17.2325

Surface and Volume Properties
Accessible surface: 592.829	Positive charged surface: 391.978	Negative charged surface: 200.851	Volume: 330.375
Hydrophobic surface: 445.24	Hydrophilic surface: 147.589

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.