MMsINC Database Search


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MMsINC code: MMs00284849

Type: Neutral
Formula: C₁₄H₁₀N₄O₆

SMILES:

O=C(Nc1ccc(cc1)C(=O)N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

InChI:

InChI=1/C14H10N4O6/c15-13(19)8-1-3-9(4-2-8)16-14(20)11-6-5-10(17(21)22)7-12(11)18(23)24/h1-7H,(H2,15,19)(H,16,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.548 kcal/mol

Physical Properties
Molecular Weight: 330.256 g/mol	logS: -5.18745	SlogP: 1.8542	Reactive groups: 0

Topological Properties
Globularity: 0.0582623	Sterimol/B1: 2.34418	Sterimol/B2: 2.90513	Sterimol/B3: 4.55328
Sterimol/B4: 5.86668	Sterimol/L: 17.4487

Surface and Volume Properties
Accessible surface: 521.223	Positive charged surface: 218.518	Negative charged surface: 302.705	Volume: 264
Hydrophobic surface: 237.612	Hydrophilic surface: 283.611

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.