MMsINC Database Search


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MMsINC code: MMs01271824

Type: Neutral
Formula: C₁₇H₂₀FN₃O₄

SMILES:

Fc1ccc(cc1)C1(NC(=O)N(CC(=O)N2CCOCC2)C1=O)CC

InChI:

InChI=1/C17H20FN3O4/c1-2-17(12-3-5-13(18)6-4-12)15(23)21(16(24)19-17)11-14(22)20-7-9-25-10-8-20/h3-6H,2,7-11H2,1H3,(H,19,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8532 kcal/mol

Physical Properties
Molecular Weight: 349.362 g/mol	logS: -2.98441	SlogP: 1.1531	Reactive groups: 0

Topological Properties
Globularity: 0.0855377	Sterimol/B1: 2.28491	Sterimol/B2: 3.67514	Sterimol/B3: 4.1091
Sterimol/B4: 8.97626	Sterimol/L: 14.652

Surface and Volume Properties
Accessible surface: 566.33	Positive charged surface: 366.697	Negative charged surface: 199.633	Volume: 311.75
Hydrophobic surface: 433.576	Hydrophilic surface: 132.754

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.