MMsINC Database Search


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MMsINC code: MMs01760403

Type: Neutral
Formula: C₂₀H₁₄N₄O₅

SMILES:

O=C1NC(=O)NC=C1NC(=O)c1cc2c(cc1)C(=O)N(C2=O)c1cc(ccc1)C

InChI:

InChI=1/C20H14N4O5/c1-10-3-2-4-12(7-10)24-18(27)13-6-5-11(8-14(13)19(24)28)16(25)22-15-9-21-20(29)23-17(15)26/h2-9H,1H3,(H,22,25)(H2,21,23,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7063 kcal/mol

Physical Properties
Molecular Weight: 390.355 g/mol	logS: -5.2667	SlogP: 1.20622	Reactive groups: 0

Topological Properties
Globularity: 0.0148178	Sterimol/B1: 3.15856	Sterimol/B2: 3.37713	Sterimol/B3: 3.39786
Sterimol/B4: 5.90503	Sterimol/L: 20.9658

Surface and Volume Properties
Accessible surface: 614.388	Positive charged surface: 324.783	Negative charged surface: 289.605	Volume: 334.75
Hydrophobic surface: 356.116	Hydrophilic surface: 258.272

Pharmacophoric Properties
Hydrogen bond donors: 3	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.