MMsINC Database Search


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MMsINC code: MMs01254642

Type: Neutral
Formula: C₁₇H₂₁FN₂O₃

SMILES:

Fc1cc(ccc1OC)CN1C(=O)C2(NC1=O)CCCCC2C

InChI:

InChI=1/C17H21FN2O3/c1-11-5-3-4-8-17(11)15(21)20(16(22)19-17)10-12-6-7-14(23-2)13(18)9-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,22)/t11-,17+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0439 kcal/mol

Physical Properties
Molecular Weight: 320.364 g/mol	logS: -3.82066	SlogP: 3.1014	Reactive groups: 0

Topological Properties
Globularity: 0.106269	Sterimol/B1: 2.29609	Sterimol/B2: 4.07784	Sterimol/B3: 4.44939
Sterimol/B4: 6.82268	Sterimol/L: 15.6019

Surface and Volume Properties
Accessible surface: 534.719	Positive charged surface: 359.724	Negative charged surface: 174.995	Volume: 295.875
Hydrophobic surface: 435.644	Hydrophilic surface: 99.075

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.