MMsINC Database Search


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MMsINC code: MMs00335696

Type: Neutral
Formula: C₁₇H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)C(N1C=CC=CC1=O)C(=O)NCCOC

InChI:

InChI=1/C17H17FN2O4/c1-24-11-9-19-17(23)15(20-10-3-2-4-14(20)21)16(22)12-5-7-13(18)8-6-12/h2-8,10,15H,9,11H2,1H3,(H,19,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.85 kcal/mol

Physical Properties
Molecular Weight: 332.331 g/mol	logS: -3.29379	SlogP: 1.0517	Reactive groups: 0

Topological Properties
Globularity: 0.121423	Sterimol/B1: 3.43729	Sterimol/B2: 3.62741	Sterimol/B3: 4.0137
Sterimol/B4: 7.03918	Sterimol/L: 14.8917

Surface and Volume Properties
Accessible surface: 546.26	Positive charged surface: 330.504	Negative charged surface: 215.756	Volume: 300.75
Hydrophobic surface: 477.627	Hydrophilic surface: 68.633

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.