MMsINC Database Search


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MMsINC code: MMs00311776

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O=C1N(C(C(=O)NC(C)(C)C)C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C19H20N2O3/c1-11(16(22)20-19(2,3)4)21-17(23)13-9-5-7-12-8-6-10-14(15(12)13)18(21)24/h5-11H,1-4H3,(H,20,22)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3877 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -5.29402	SlogP: 2.739	Reactive groups: 0

Topological Properties
Globularity: 0.111815	Sterimol/B1: 2.13024	Sterimol/B2: 4.09204	Sterimol/B3: 5.91599
Sterimol/B4: 6.64739	Sterimol/L: 15.5859

Surface and Volume Properties
Accessible surface: 554.476	Positive charged surface: 324.994	Negative charged surface: 218.411	Volume: 310.75
Hydrophobic surface: 417.895	Hydrophilic surface: 136.581

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.