MMsINC Database Search


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MMsINC code: MMs02014079

Type: Neutral
Formula: C₁₉H₁₃N₃O₅

SMILES:

O=C1N(C)C(=O)c2c1cc(NC(=O)CN1C(=O)c3c(cccc3)C1=O)cc2

InChI:

InChI=1/C19H13N3O5/c1-21-16(24)13-7-6-10(8-14(13)17(21)25)20-15(23)9-22-18(26)11-4-2-3-5-12(11)19(22)27/h2-8H,9H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0695 kcal/mol

Physical Properties
Molecular Weight: 363.329 g/mol	logS: -4.48101	SlogP: 1.1471	Reactive groups: 0

Topological Properties
Globularity: 0.0510393	Sterimol/B1: 3.48094	Sterimol/B2: 3.71336	Sterimol/B3: 4.87973
Sterimol/B4: 4.92614	Sterimol/L: 18.7258

Surface and Volume Properties
Accessible surface: 593.916	Positive charged surface: 341.214	Negative charged surface: 252.702	Volume: 313.375
Hydrophobic surface: 385.727	Hydrophilic surface: 208.189

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.