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MMsINC code: MMs00835317

Type: Neutral
Formula: C₁₉H₂₂N₂O₃

SMILES:

O=C1N(C(C(=O)NCCC=2CCCCC=2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C19H22N2O3/c1-13(17(22)20-12-11-14-7-3-2-4-8-14)21-18(23)15-9-5-6-10-16(15)19(21)24/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.629 kcal/mol

Physical Properties
Molecular Weight: 326.396 g/mol	logS: -4.40186	SlogP: 2.6778	Reactive groups: 0

Topological Properties
Globularity: 0.0659417	Sterimol/B1: 2.13688	Sterimol/B2: 2.33349	Sterimol/B3: 5.02335
Sterimol/B4: 6.73663	Sterimol/L: 18.4228

Surface and Volume Properties
Accessible surface: 599.408	Positive charged surface: 387.108	Negative charged surface: 212.299	Volume: 321.125
Hydrophobic surface: 468.669	Hydrophilic surface: 130.739

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.