MMsINC Database Search


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MMsINC code: MMs02277541

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O1CCN(C)C(=O)C1C(NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H20N2O3/c1-21-12-13-24-17(19(21)23)16(14-8-4-2-5-9-14)20-18(22)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,20,22)/t16-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2507 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.65697	SlogP: 2.1104	Reactive groups: 0

Topological Properties
Globularity: 0.215825	Sterimol/B1: 2.08161	Sterimol/B2: 3.00467	Sterimol/B3: 5.02377
Sterimol/B4: 10.6671	Sterimol/L: 12.8228

Surface and Volume Properties
Accessible surface: 583.358	Positive charged surface: 379.316	Negative charged surface: 204.042	Volume: 316.625
Hydrophobic surface: 533.555	Hydrophilic surface: 49.803

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.