MMsINC Database Search


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MMsINC code: MMs00071459

Type: Neutral
Formula: C₁₅H₁₃FN₂O₃

SMILES:

Fc1cc([N+](=O)[O-])c(cc1)C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C15H13FN2O3/c1-9-4-3-5-13(10(9)2)17-15(19)12-7-6-11(16)8-14(12)18(20)21/h3-8H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7965 kcal/mol

Physical Properties
Molecular Weight: 288.278 g/mol	logS: -5.07447	SlogP: 3.60304	Reactive groups: 0

Topological Properties
Globularity: 0.0252551	Sterimol/B1: 2.72669	Sterimol/B2: 3.13465	Sterimol/B3: 3.49428
Sterimol/B4: 5.65096	Sterimol/L: 14.9337

Surface and Volume Properties
Accessible surface: 482.764	Positive charged surface: 226.014	Negative charged surface: 256.751	Volume: 255.625
Hydrophobic surface: 390.024	Hydrophilic surface: 92.74

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