MMsINC Database Search


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MMsINC code: MMs00514072

Type: Neutral
Formula: C₁₉H₁₆N₄O₅

SMILES:

O(C(=O)c1ccccc1NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1)C

InChI:

InChI=1/C19H16N4O5/c1-28-19(25)15-4-2-3-5-16(15)21-18(24)11-22-12-20-10-17(22)13-6-8-14(9-7-13)23(26)27/h2-10,12H,11H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.854 kcal/mol

Physical Properties
Molecular Weight: 380.36 g/mol	logS: -5.44668	SlogP: 3.15	Reactive groups: 0

Topological Properties
Globularity: 0.130416	Sterimol/B1: 2.56564	Sterimol/B2: 3.24071	Sterimol/B3: 5.41348
Sterimol/B4: 8.99361	Sterimol/L: 13.6851

Surface and Volume Properties
Accessible surface: 609.41	Positive charged surface: 361.267	Negative charged surface: 248.143	Volume: 336.125
Hydrophobic surface: 458.065	Hydrophilic surface: 151.345

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.