MMsINC Database Search


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MMsINC code: MMs02190856

Type: Neutral
Formula: C₁₄H₁₂N₂O₄

SMILES:

Oc1ccccc1C(=O)NNC(=O)c1ccccc1O

InChI:

InChI=1/C14H12N2O4/c17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8104 kcal/mol

Physical Properties
Molecular Weight: 272.26 g/mol	logS: -2.8595	SlogP: 1.1726	Reactive groups: 0

Topological Properties
Globularity: 0.00210691	Sterimol/B1: 2.17949	Sterimol/B2: 2.26311	Sterimol/B3: 2.60705
Sterimol/B4: 5.82859	Sterimol/L: 16.4146

Surface and Volume Properties
Accessible surface: 494.29	Positive charged surface: 268.196	Negative charged surface: 226.095	Volume: 243.625
Hydrophobic surface: 326.077	Hydrophilic surface: 168.213

Pharmacophoric Properties
Hydrogen bond donors: 4	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.