MMsINC Database Search


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MMsINC code: MMs01364000

Type: Neutral
Formula: C₁₇H₁₇FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)N1CCN(CC1)c1ccccc1O

InChI:

InChI=1/C17H17FN2O2/c18-14-5-3-4-13(12-14)17(22)20-10-8-19(9-11-20)15-6-1-2-7-16(15)21/h1-7,12,21H,8-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.371 kcal/mol

Physical Properties
Molecular Weight: 300.333 g/mol	logS: -3.22864	SlogP: 2.4937	Reactive groups: 0

Topological Properties
Globularity: 0.126637	Sterimol/B1: 2.41545	Sterimol/B2: 3.63795	Sterimol/B3: 4.94282
Sterimol/B4: 6.0392	Sterimol/L: 15.4302

Surface and Volume Properties
Accessible surface: 522.584	Positive charged surface: 316.744	Negative charged surface: 205.839	Volume: 279.75
Hydrophobic surface: 437.616	Hydrophilic surface: 84.968

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.