MMsINC Database Search


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MMsINC code: MMs01808375

Type: Neutral
Formula: C₁₉H₂₁FN₄O₂

SMILES:

Fc1ccccc1C(=O)N1CCN(CC1)CCNC(=O)c1ncccc1

InChI:

InChI=1/C19H21FN4O2/c20-16-6-2-1-5-15(16)19(26)24-13-11-23(12-14-24)10-9-22-18(25)17-7-3-4-8-21-17/h1-8H,9-14H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.567 kcal/mol

Physical Properties
Molecular Weight: 356.401 g/mol	logS: -2.60198	SlogP: 1.4085	Reactive groups: 0

Topological Properties
Globularity: 0.038747	Sterimol/B1: 2.48008	Sterimol/B2: 3.48172	Sterimol/B3: 5.27814
Sterimol/B4: 5.31	Sterimol/L: 20.0986

Surface and Volume Properties
Accessible surface: 627.584	Positive charged surface: 420.441	Negative charged surface: 207.142	Volume: 336.625
Hydrophobic surface: 529.243	Hydrophilic surface: 98.341

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs01808376
IBS-ZINC02225397