MMsINC Database Search


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MMsINC code: MMs01524395

Type: Neutral
Formula: C₁₇H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NC(C(C)C)C(=O)N1CCCCC1

InChI:

InChI=1/C17H23FN2O2/c1-12(2)15(17(22)20-10-4-3-5-11-20)19-16(21)13-6-8-14(18)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9721 kcal/mol

Physical Properties
Molecular Weight: 306.381 g/mol	logS: -3.37747	SlogP: 2.5926	Reactive groups: 0

Topological Properties
Globularity: 0.139619	Sterimol/B1: 2.53316	Sterimol/B2: 2.57383	Sterimol/B3: 5.25163
Sterimol/B4: 6.79178	Sterimol/L: 15.7109

Surface and Volume Properties
Accessible surface: 543.706	Positive charged surface: 343.12	Negative charged surface: 200.585	Volume: 300
Hydrophobic surface: 457.926	Hydrophilic surface: 85.78

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.