MMsINC Database Search


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MMsINC code: MMs01671716

Type: Neutral
Formula: C₁₈H₂₆FN₃O₃

SMILES:

Fc1ccc(cc1)C(=O)NC(C(C)C)C(=O)N(CC(=O)NCCC)C

InChI:

InChI=1/C18H26FN3O3/c1-5-10-20-15(23)11-22(4)18(25)16(12(2)3)21-17(24)13-6-8-14(19)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3,(H,20,23)(H,21,24)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1584 kcal/mol

Physical Properties
Molecular Weight: 351.422 g/mol	logS: -3.32487	SlogP: 1.5647	Reactive groups: 0

Topological Properties
Globularity: 0.0611015	Sterimol/B1: 2.52413	Sterimol/B2: 4.25817	Sterimol/B3: 5.4023
Sterimol/B4: 5.67841	Sterimol/L: 19.8074

Surface and Volume Properties
Accessible surface: 634.959	Positive charged surface: 417.428	Negative charged surface: 217.531	Volume: 343.875
Hydrophobic surface: 486.7	Hydrophilic surface: 148.259

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.