MMsINC Database Search


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MMsINC code: MMs00858553

Type: Neutral
Formula: C₂₀H₁₀N₄O₄

SMILES:

O=C1N(C(=O)c2c1cc1c(c2)C(=O)N(C1=O)c1ccncc1)c1ccncc1

InChI:

InChI=1/C20H10N4O4/c25-17-13-9-15-16(20(28)24(19(15)27)12-3-7-22-8-4-12)10-14(13)18(26)23(17)11-1-5-21-6-2-11/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.861 kcal/mol

Physical Properties
Molecular Weight: 370.324 g/mol	logS: -3.61602	SlogP: 2.0778	Reactive groups: 0

Topological Properties
Globularity: 2.68665e-07	Sterimol/B1: 2.09792	Sterimol/B2: 2.1036	Sterimol/B3: 2.80098
Sterimol/B4: 5.19404	Sterimol/L: 18.7704

Surface and Volume Properties
Accessible surface: 562.513	Positive charged surface: 351.757	Negative charged surface: 210.757	Volume: 316.375
Hydrophobic surface: 389.17	Hydrophilic surface: 173.343

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.