MMsINC Database Search


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MMsINC code: MMs00107515

Type: Neutral
Formula: C₁₆H₁₅FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)NNC(=O)c1cc(OC)c(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.803 kcal/mol

Physical Properties
Molecular Weight: 318.304 g/mol	logS: -3.97914	SlogP: 1.9177	Reactive groups: 0

Topological Properties
Globularity: 0.0039193	Sterimol/B1: 1.969	Sterimol/B2: 2.37372	Sterimol/B3: 2.38184
Sterimol/B4: 7.57533	Sterimol/L: 18.3731

Surface and Volume Properties
Accessible surface: 562.225	Positive charged surface: 341.444	Negative charged surface: 220.781	Volume: 283.25
Hydrophobic surface: 451.353	Hydrophilic surface: 110.872

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.