MMsINC Database Search


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MMsINC code: MMs01426305

Type: Neutral
Formula: C₂₀H₂₃FN₂O

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)Cc1cc(C)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.934 kcal/mol

Physical Properties
Molecular Weight: 326.415 g/mol	logS: -4.5999	SlogP: 3.33381	Reactive groups: 0

Topological Properties
Globularity: 0.0428624	Sterimol/B1: 3.09548	Sterimol/B2: 3.4541	Sterimol/B3: 3.82754
Sterimol/B4: 5.20419	Sterimol/L: 18.5507

Surface and Volume Properties
Accessible surface: 599.442	Positive charged surface: 388.414	Negative charged surface: 211.028	Volume: 326.125
Hydrophobic surface: 565.194	Hydrophilic surface: 34.248

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