MMsINC Database Search


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MMsINC code: MMs00366149

Type: Neutral
Formula: C₁₉H₂₃N₃O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N1CCN(CC1)c1ncccc1

InChI:

InChI=1/C19H23N3O4/c1-24-15-12-14(13-16(25-2)18(15)26-3)19(23)22-10-8-21(9-11-22)17-6-4-5-7-20-17/h4-7,12-13H,8-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.83 kcal/mol

Physical Properties
Molecular Weight: 357.41 g/mol	logS: -2.49987	SlogP: 2.0698	Reactive groups: 0

Topological Properties
Globularity: 0.120621	Sterimol/B1: 2.2017	Sterimol/B2: 4.31397	Sterimol/B3: 5.12458
Sterimol/B4: 9.48817	Sterimol/L: 17.571

Surface and Volume Properties
Accessible surface: 622.039	Positive charged surface: 508.831	Negative charged surface: 113.208	Volume: 341.125
Hydrophobic surface: 548.356	Hydrophilic surface: 73.683

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.