MMsINC Database Search


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MMsINC code: MMs03869658

Type: Neutral
Formula: C₁₇H₁₉N₃O₇

SMILES:

O(C)c1c(OC)cc(NC(=O)COc2ccc(nc2[N+](=O)[O-])C)cc1OC

InChI:

InChI=1/C17H19N3O7/c1-10-5-6-12(17(18-10)20(22)23)27-9-15(21)19-11-7-13(24-2)16(26-4)14(8-11)25-3/h5-8H,9H2,1-4H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.141 kcal/mol

Physical Properties
Molecular Weight: 377.353 g/mol	logS: -3.73957	SlogP: 2.34152	Reactive groups: 0

Topological Properties
Globularity: 0.0208125	Sterimol/B1: 2.64934	Sterimol/B2: 3.48443	Sterimol/B3: 4.9739
Sterimol/B4: 6.50866	Sterimol/L: 19.4023

Surface and Volume Properties
Accessible surface: 642.503	Positive charged surface: 458.017	Negative charged surface: 184.486	Volume: 329.5
Hydrophobic surface: 485.449	Hydrophilic surface: 157.054

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.