MMsINC Database Search


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MMsINC code: MMs02712049

Type: Neutral
Formula: C₁₉H₂₁F₂N₃O

SMILES:

Fc1cc(F)ccc1NC(=O)N1CCN(CC1)c1cccc(C)c1C

InChI:

InChI=1/C19H21F2N3O/c1-13-4-3-5-18(14(13)2)23-8-10-24(11-9-23)19(25)22-17-7-6-15(20)12-16(17)21/h3-7,12H,8-11H2,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.746 kcal/mol

Physical Properties
Molecular Weight: 345.393 g/mol	logS: -4.41714	SlogP: 3.93574	Reactive groups: 0

Topological Properties
Globularity: 0.0637064	Sterimol/B1: 3.11733	Sterimol/B2: 3.7755	Sterimol/B3: 3.93134
Sterimol/B4: 4.63875	Sterimol/L: 18.9656

Surface and Volume Properties
Accessible surface: 590.782	Positive charged surface: 362.557	Negative charged surface: 228.225	Volume: 323.25
Hydrophobic surface: 548.973	Hydrophilic surface: 41.809

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.