MMsINC Database Search


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MMsINC code: MMs01032388

Type: Neutral
Formula: C₁₉H₂₀FN₃O₂

SMILES:

Fc1ccccc1CN1c2ncccc2C(=O)N(CCC(C)C)C1=O

InChI:

InChI=1/C19H20FN3O2/c1-13(2)9-11-22-18(24)15-7-5-10-21-17(15)23(19(22)25)12-14-6-3-4-8-16(14)20/h3-8,10,13H,9,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7562 kcal/mol

Physical Properties
Molecular Weight: 341.386 g/mol	logS: -4.40134	SlogP: 4.1156	Reactive groups: 0

Topological Properties
Globularity: 0.0763295	Sterimol/B1: 3.07762	Sterimol/B2: 3.99222	Sterimol/B3: 6.07249
Sterimol/B4: 6.48124	Sterimol/L: 15.2832

Surface and Volume Properties
Accessible surface: 575.426	Positive charged surface: 380.974	Negative charged surface: 194.452	Volume: 322.125
Hydrophobic surface: 467.682	Hydrophilic surface: 107.744

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.