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MMsINC code: MMs01428363

Type: Neutral
Formula: C₂₁H₂₄FN₃O₂

SMILES:

Fc1ccccc1C(=O)NCC(=O)NC1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C21H24FN3O2/c22-19-9-5-4-8-18(19)21(27)23-14-20(26)24-17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,27)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.701 kcal/mol

Physical Properties
Molecular Weight: 369.44 g/mol	logS: -4.21673	SlogP: 2.6027	Reactive groups: 0

Topological Properties
Globularity: 0.0461807	Sterimol/B1: 2.58045	Sterimol/B2: 2.9199	Sterimol/B3: 4.92906
Sterimol/B4: 7.14019	Sterimol/L: 20.345

Surface and Volume Properties
Accessible surface: 668.948	Positive charged surface: 425.22	Negative charged surface: 243.728	Volume: 359.625
Hydrophobic surface: 575.12	Hydrophilic surface: 93.828

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01428364
ENAMINE-ZINC03415231