MMsINC Database Search


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MMsINC code: MMs01721207

Type: Neutral
Formula: C₁₇H₂₅FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)NC(CC)CC

InChI:

InChI=1/C17H25FN2O2/c1-5-12(6-2)19-17(22)15(11(3)4)20-16(21)13-9-7-8-10-14(13)18/h7-12,15H,5-6H2,1-4H3,(H,19,22)(H,20,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1705 kcal/mol

Physical Properties
Molecular Weight: 308.397 g/mol	logS: -3.78727	SlogP: 2.8849	Reactive groups: 0

Topological Properties
Globularity: 0.10088	Sterimol/B1: 2.38605	Sterimol/B2: 3.04191	Sterimol/B3: 4.51645
Sterimol/B4: 8.30596	Sterimol/L: 15.6311

Surface and Volume Properties
Accessible surface: 561.635	Positive charged surface: 355.991	Negative charged surface: 205.643	Volume: 311
Hydrophobic surface: 450.031	Hydrophilic surface: 111.604

Pharmacophoric Properties
Hydrogen bond donors: 2	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.