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MMsINC code: MMs01482326

Type: Neutral
Formula: C₁₅H₁₄N₄O₅

SMILES:

O=C1N(N=C(c2c1cccc2)C(O)=O)CC(=O)NC(=O)NCC=C

InChI:

InChI=1/C15H14N4O5/c1-2-7-16-15(24)17-11(20)8-19-13(21)10-6-4-3-5-9(10)12(18-19)14(22)23/h2-6H,1,7-8H2,(H,22,23)(H2,16,17,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4147 kcal/mol

Physical Properties
Molecular Weight: 330.3 g/mol	logS: -2.97863	SlogP: -0.0571	Reactive groups: 0

Topological Properties
Globularity: 0.0455242	Sterimol/B1: 2.58777	Sterimol/B2: 3.97157	Sterimol/B3: 4.31068
Sterimol/B4: 6.67922	Sterimol/L: 18.5632

Surface and Volume Properties
Accessible surface: 572.871	Positive charged surface: 340.367	Negative charged surface: 232.505	Volume: 286.375
Hydrophobic surface: 268.404	Hydrophilic surface: 304.467

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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

MMs01482327
ENAMINE-ZINC03510312