MMsINC Database Search


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MMsINC code: MMs02203604

Type: Neutral
Formula: C₁₄H₁₄N₂O₄

SMILES:

O(C)c1cc([N+](=O)[O-])ccc1NCc1ccccc1O

InChI:

InChI=1/C14H14N2O4/c1-20-14-8-11(16(18)19)6-7-12(14)15-9-10-4-2-3-5-13(10)17/h2-8,15,17H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9165 kcal/mol

Physical Properties
Molecular Weight: 274.276 g/mol	logS: -3.4279	SlogP: 3.1875	Reactive groups: 0

Topological Properties
Globularity: 0.084615	Sterimol/B1: 2.46929	Sterimol/B2: 3.66096	Sterimol/B3: 4.12723
Sterimol/B4: 7.4498	Sterimol/L: 15.5641

Surface and Volume Properties
Accessible surface: 504.257	Positive charged surface: 293.142	Negative charged surface: 211.115	Volume: 252.75
Hydrophobic surface: 359.729	Hydrophilic surface: 144.528

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.