MMsINC Database Search


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MMsINC code: MMs03418150

Type: Neutral
Formula: C₁₅H₁₉N₃O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)Cc1nc(OC)nc(N)c1

InChI:

InChI=1/C15H19N3O4/c1-19-11-6-9(7-12(20-2)14(11)21-3)5-10-8-13(16)18-15(17-10)22-4/h6-8H,5H2,1-4H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9208 kcal/mol

Physical Properties
Molecular Weight: 305.334 g/mol	logS: -3.07899	SlogP: 1.68397	Reactive groups: 0

Topological Properties
Globularity: 0.128265	Sterimol/B1: 2.42731	Sterimol/B2: 3.48225	Sterimol/B3: 4.6913
Sterimol/B4: 9.17541	Sterimol/L: 14.4764

Surface and Volume Properties
Accessible surface: 572.905	Positive charged surface: 496.601	Negative charged surface: 76.3044	Volume: 290.25
Hydrophobic surface: 441.842	Hydrophilic surface: 131.063

Pharmacophoric Properties
Hydrogen bond donors: 1	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.