MMsINC Database Search


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MMsINC code: MMs01625494

Type: Neutral
Formula: C₁₉H₂₂N₂O₃

SMILES:

O=C1N(CCC(=O)NCc2ccc(cc2)C)C(=O)C2C1CC=CC2

InChI:

InChI=1/C19H22N2O3/c1-13-6-8-14(9-7-13)12-20-17(22)10-11-21-18(23)15-4-2-3-5-16(15)19(21)24/h2-3,6-9,15-16H,4-5,10-12H2,1H3,(H,20,22)/t15-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.0215 kcal/mol

Physical Properties
Molecular Weight: 326.396 g/mol	logS: -2.42104	SlogP: 2.21892	Reactive groups: 0

Topological Properties
Globularity: 0.0591115	Sterimol/B1: 2.28295	Sterimol/B2: 3.64498	Sterimol/B3: 4.49494
Sterimol/B4: 6.34001	Sterimol/L: 19.3839

Surface and Volume Properties
Accessible surface: 614.727	Positive charged surface: 389.766	Negative charged surface: 224.96	Volume: 322.875
Hydrophobic surface: 462.805	Hydrophilic surface: 151.922

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