MMsINC Database Search


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MMsINC code: MMs03294232

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C)c1cccc(OC)c1C(=O)N1CCN=C1Cc1ccccc1

InChI:

InChI=1/C19H20N2O3/c1-23-15-9-6-10-16(24-2)18(15)19(22)21-12-11-20-17(21)13-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.442 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.98607	SlogP: 2.80077	Reactive groups: 0

Topological Properties
Globularity: 0.0943196	Sterimol/B1: 2.35077	Sterimol/B2: 3.19239	Sterimol/B3: 5.00936
Sterimol/B4: 9.52488	Sterimol/L: 16.4622

Surface and Volume Properties
Accessible surface: 591.829	Positive charged surface: 429.444	Negative charged surface: 162.385	Volume: 317.625
Hydrophobic surface: 552.338	Hydrophilic surface: 39.491

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.