MMsINC Database Search


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MMsINC code: MMs01158624

Type: Neutral
Formula: C₁₉H₂₃FN₄O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CCN(C(=O)c1nccnc1)CCCOC

InChI:

InChI=1/C19H23FN4O3/c1-27-12-2-10-24(19(26)17-14-21-8-9-22-17)11-7-18(25)23-13-15-3-5-16(20)6-4-15/h3-6,8-9,14H,2,7,10-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5374 kcal/mol

Physical Properties
Molecular Weight: 374.416 g/mol	logS: -1.52344	SlogP: 2.0673	Reactive groups: 0

Topological Properties
Globularity: 0.0461936	Sterimol/B1: 2.46134	Sterimol/B2: 3.41361	Sterimol/B3: 3.53415
Sterimol/B4: 9.7447	Sterimol/L: 19.3358

Surface and Volume Properties
Accessible surface: 661.547	Positive charged surface: 481.363	Negative charged surface: 180.184	Volume: 355.75
Hydrophobic surface: 557.282	Hydrophilic surface: 104.265

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.