MMsINC Database Search


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MMsINC code: MMs01061984

Type: Neutral
Formula: C₂₀H₂₀FN₃O

SMILES:

Fc1ccc(cc1)CNC(=O)NCc1n(ccc1)Cc1ccccc1

InChI:

InChI=1/C20H20FN3O/c21-18-10-8-16(9-11-18)13-22-20(25)23-14-19-7-4-12-24(19)15-17-5-2-1-3-6-17/h1-12H,13-15H2,(H2,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.2334 kcal/mol

Physical Properties
Molecular Weight: 337.398 g/mol	logS: -3.69316	SlogP: 4.4741	Reactive groups: 1

Topological Properties
Globularity: 0.0980113	Sterimol/B1: 2.65407	Sterimol/B2: 3.74259	Sterimol/B3: 3.82817
Sterimol/B4: 7.93559	Sterimol/L: 15.4869

Surface and Volume Properties
Accessible surface: 582.851	Positive charged surface: 326.298	Negative charged surface: 256.553	Volume: 330.25
Hydrophobic surface: 496.244	Hydrophilic surface: 86.607

Pharmacophoric Properties
Hydrogen bond donors: 2	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.