MMsINC Database Search


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MMsINC code: MMs00110307

Type: Neutral
Formula: C₁₇H₂₁FN₂O₂

SMILES:

Fc1ccc(N2CC(CC2=O)C(=O)NC2CCCCC2)cc1

InChI:

InChI=1/C17H21FN2O2/c18-13-6-8-15(9-7-13)20-11-12(10-16(20)21)17(22)19-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,19,22)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.501 kcal/mol

Physical Properties
Molecular Weight: 304.365 g/mol	logS: -3.20691	SlogP: 2.6275	Reactive groups: 0

Topological Properties
Globularity: 0.051232	Sterimol/B1: 3.30594	Sterimol/B2: 3.79257	Sterimol/B3: 4.02892
Sterimol/B4: 5.16696	Sterimol/L: 18.0048

Surface and Volume Properties
Accessible surface: 542.651	Positive charged surface: 357.742	Negative charged surface: 184.909	Volume: 292.875
Hydrophobic surface: 473.006	Hydrophilic surface: 69.645

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.