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MMsINC code: MMs01645904

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C)c1cc(ccc1)CNC(=O)CCc1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H20N2O2/c1-23-16-6-4-5-14(11-16)12-21-19(22)10-9-15-13-20-18-8-3-2-7-17(15)18/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0115 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.58258	SlogP: 3.69187	Reactive groups: 0

Topological Properties
Globularity: 0.0511125	Sterimol/B1: 2.49279	Sterimol/B2: 2.89984	Sterimol/B3: 4.12815
Sterimol/B4: 6.72327	Sterimol/L: 17.9169

Surface and Volume Properties
Accessible surface: 600.591	Positive charged surface: 393.208	Negative charged surface: 202.545	Volume: 313.875
Hydrophobic surface: 492.771	Hydrophilic surface: 107.82

Pharmacophoric Properties
Hydrogen bond donors: 2	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.