MMsINC Database Search


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MMsINC code: MMs02034569

Type: Neutral
Formula: C₁₅H₉FN₄O₄

SMILES:

Fc1ccc(cc1)-c1oc(nn1)NC(=O)c1cc([N+](=O)[O-])ccc1

InChI:

InChI=1/C15H9FN4O4/c16-11-6-4-9(5-7-11)14-18-19-15(24-14)17-13(21)10-2-1-3-12(8-10)20(22)23/h1-8H,(H,17,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6545 kcal/mol

Physical Properties
Molecular Weight: 328.259 g/mol	logS: -7.00885	SlogP: 3.0362	Reactive groups: 0

Topological Properties
Globularity: 1.54027e-07	Sterimol/B1: 2.09924	Sterimol/B2: 2.10003	Sterimol/B3: 2.55454
Sterimol/B4: 6.13874	Sterimol/L: 19.3373

Surface and Volume Properties
Accessible surface: 533.33	Positive charged surface: 221.382	Negative charged surface: 311.948	Volume: 267.75
Hydrophobic surface: 337.96	Hydrophilic surface: 195.37

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.