MMsINC Database Search


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MMsINC code: MMs00618468

Type: Neutral
Formula: C₁₆H₁₅FN₂O₄

SMILES:

Fc1ccc(NC(=O)COc2cc(C)c(cc2)C)cc1[N+](=O)[O-]

InChI:

InChI=1/C16H15FN2O4/c1-10-3-5-13(7-11(10)2)23-9-16(20)18-12-4-6-14(17)15(8-12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0147 kcal/mol

Physical Properties
Molecular Weight: 318.304 g/mol	logS: -5.46474	SlogP: 3.36824	Reactive groups: 0

Topological Properties
Globularity: 0.0155133	Sterimol/B1: 2.71192	Sterimol/B2: 2.98492	Sterimol/B3: 3.14896
Sterimol/B4: 5.29589	Sterimol/L: 18.505

Surface and Volume Properties
Accessible surface: 564.757	Positive charged surface: 286.671	Negative charged surface: 278.087	Volume: 283.5
Hydrophobic surface: 429.833	Hydrophilic surface: 134.924

Pharmacophoric Properties
Hydrogen bond donors: 1	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.