MMsINC Database Search


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MMsINC code: MMs00191053

Type: Neutral
Formula: C₂₆H₁₄N₄O₅

SMILES:

O(c1cc2c(cc1)C(=O)N(C2=O)c1ncccc1)c1cc2c(cc1)C(=O)N(C2=O)c1n
cccc1

InChI:

InChI=1/C26H14N4O5/c31-23-17-9-7-15(13-19(17)25(33)29(23)21-5-1-3-11-27-21)35-16-8-10-18-20(14-16)26(34)30(24(18)32)22-6-2-4-12-28-22/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.831 kcal/mol

Physical Properties
Molecular Weight: 462.421 g/mol	logS: -6.02125	SlogP: 3.8701	Reactive groups: 0

Topological Properties
Globularity: 0.057244	Sterimol/B1: 3.67072	Sterimol/B2: 3.77479	Sterimol/B3: 4.63272
Sterimol/B4: 8.69879	Sterimol/L: 19.0538

Surface and Volume Properties
Accessible surface: 700.814	Positive charged surface: 399.335	Negative charged surface: 301.479	Volume: 401.875
Hydrophobic surface: 525.304	Hydrophilic surface: 175.51

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: 0

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Ions/Tautomers related molecules: no related molecules available.