MMsINC Database Search


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MMsINC code: MMs01060125

Type: Neutral
Formula: C₂₀H₂₁FN₂O

SMILES:

Fc1ccc(cc1)Cn1c2c(cc(cc2)C(=O)NCC)c(C)c1C

InChI:

InChI=1/C20H21FN2O/c1-4-22-20(24)16-7-10-19-18(11-16)13(2)14(3)23(19)12-15-5-8-17(21)9-6-15/h5-11H,4,12H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4165 kcal/mol

Physical Properties
Molecular Weight: 324.399 g/mol	logS: -4.57887	SlogP: 4.46164	Reactive groups: 0

Topological Properties
Globularity: 0.065406	Sterimol/B1: 3.74767	Sterimol/B2: 3.79156	Sterimol/B3: 4.36503
Sterimol/B4: 7.44554	Sterimol/L: 16.5834

Surface and Volume Properties
Accessible surface: 584.168	Positive charged surface: 341.002	Negative charged surface: 236.908	Volume: 323.875
Hydrophobic surface: 504.842	Hydrophilic surface: 79.326

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.