MMsINC Database Search


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MMsINC code: MMs01933469

Type: Neutral
Formula: C₂₁H₂₁FN₂O

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C21H21FN2O/c22-18-6-7-19-17(13-18)14-20(23-19)21(25)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16,23H,8-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1168 kcal/mol

Physical Properties
Molecular Weight: 336.41 g/mol	logS: -4.93435	SlogP: 4.40187	Reactive groups: 0

Topological Properties
Globularity: 0.0604864	Sterimol/B1: 2.45692	Sterimol/B2: 3.13309	Sterimol/B3: 3.52068
Sterimol/B4: 8.2938	Sterimol/L: 16.7788

Surface and Volume Properties
Accessible surface: 594.453	Positive charged surface: 344.238	Negative charged surface: 244.342	Volume: 325.125
Hydrophobic surface: 545.292	Hydrophilic surface: 49.161

Pharmacophoric Properties
Hydrogen bond donors: 1	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.