MMsINC Database Search


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MMsINC code: MMs00588072

Type: Neutral
Formula: C₂₀H₂₃FN₂O

SMILES:

Fc1ccc(N2CCN(CC2)C(=O)C(CC)c2ccccc2)cc1

InChI:

InChI=1/C20H23FN2O/c1-2-19(16-6-4-3-5-7-16)20(24)23-14-12-22(13-15-23)18-10-8-17(21)9-11-18/h3-11,19H,2,12-15H2,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.363 kcal/mol

Physical Properties
Molecular Weight: 326.415 g/mol	logS: -4.36905	SlogP: 3.6681	Reactive groups: 0

Topological Properties
Globularity: 0.107408	Sterimol/B1: 2.23445	Sterimol/B2: 2.36669	Sterimol/B3: 5.81541
Sterimol/B4: 7.75652	Sterimol/L: 16.8009

Surface and Volume Properties
Accessible surface: 577.925	Positive charged surface: 360.439	Negative charged surface: 217.487	Volume: 326.625
Hydrophobic surface: 530.592	Hydrophilic surface: 47.333

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.