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MMsINC code: MMs02067148

Type: Neutral
Formula: C₁₅H₂₀FN₃O₃

SMILES:

Fc1ccc(NC(=O)CC(N2CCN(CC2)C)C(O)=O)cc1

InChI:

InChI=1/C15H20FN3O3/c1-18-6-8-19(9-7-18)13(15(21)22)10-14(20)17-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,20)(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.654 kcal/mol

Physical Properties
Molecular Weight: 309.341 g/mol	logS: -1.70433	SlogP: 0.8549	Reactive groups: 0

Topological Properties
Globularity: 0.090039	Sterimol/B1: 2.19802	Sterimol/B2: 3.20217	Sterimol/B3: 4.35992
Sterimol/B4: 8.89401	Sterimol/L: 14.5599

Surface and Volume Properties
Accessible surface: 529.518	Positive charged surface: 374.353	Negative charged surface: 155.166	Volume: 282.625
Hydrophobic surface: 414.481	Hydrophilic surface: 115.037

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02067149
IFLAB-ZINC04939568