MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01467620

Type: Neutral
Formula: C₁₉H₂₂N₂O₃

SMILES:

O(CC(=O)NC(CCc1ccccc1)C)c1ccccc1C(=O)N

InChI:

InChI=1/C19H22N2O3/c1-14(11-12-15-7-3-2-4-8-15)21-18(22)13-24-17-10-6-5-9-16(17)19(20)23/h2-10,14H,11-13H2,1H3,(H2,20,23)(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3936 kcal/mol

Physical Properties
Molecular Weight: 326.396 g/mol	logS: -4.2183	SlogP: 2.30177	Reactive groups: 0

Topological Properties
Globularity: 0.0563477	Sterimol/B1: 2.24789	Sterimol/B2: 2.42801	Sterimol/B3: 5.29973
Sterimol/B4: 7.77719	Sterimol/L: 18.2318

Surface and Volume Properties
Accessible surface: 627.933	Positive charged surface: 390.191	Negative charged surface: 237.743	Volume: 325.125
Hydrophobic surface: 472.182	Hydrophilic surface: 155.751

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.