MMsINC Database Search


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MMsINC code: MMs02191813

Type: Neutral
Formula: C₁₈H₁₂N₂O₄

SMILES:

O(C(=O)c1cccnc1)c1ccc(OC(=O)c2ncccc2)cc1

InChI:

InChI=1/C18H12N2O4/c21-17(13-4-3-10-19-12-13)23-14-6-8-15(9-7-14)24-18(22)16-5-1-2-11-20-16/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.732 kcal/mol

Physical Properties
Molecular Weight: 320.304 g/mol	logS: -3.24964	SlogP: 2.915	Reactive groups: 0

Topological Properties
Globularity: 0.0299735	Sterimol/B1: 2.4154	Sterimol/B2: 3.45216	Sterimol/B3: 3.84368
Sterimol/B4: 4.84324	Sterimol/L: 20.2019

Surface and Volume Properties
Accessible surface: 580.877	Positive charged surface: 356.493	Negative charged surface: 224.383	Volume: 290.25
Hydrophobic surface: 476.651	Hydrophilic surface: 104.226

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.