MMsINC Database Search


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MMsINC code: MMs01147864

Type: Neutral
Formula: C₂₁H₂₀FN₃O₂

SMILES:

Fc1ccccc1C(=O)N1CCCCC1c1onc(n1)-c1cc(ccc1)C

InChI:

InChI=1/C21H20FN3O2/c1-14-7-6-8-15(13-14)19-23-20(27-24-19)18-11-4-5-12-25(18)21(26)16-9-2-3-10-17(16)22/h2-3,6-10,13,18H,4-5,11-12H2,1H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.308 kcal/mol

Physical Properties
Molecular Weight: 365.408 g/mol	logS: -6.51482	SlogP: 4.64702	Reactive groups: 0

Topological Properties
Globularity: 0.0716058	Sterimol/B1: 2.48378	Sterimol/B2: 5.20903	Sterimol/B3: 5.70713
Sterimol/B4: 6.73775	Sterimol/L: 16.6202

Surface and Volume Properties
Accessible surface: 603.384	Positive charged surface: 362.345	Negative charged surface: 241.039	Volume: 340.75
Hydrophobic surface: 554.889	Hydrophilic surface: 48.495

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.