MMsINC Database Search


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MMsINC code: MMs01157856

Type: Neutral
Formula: C₁₉H₂₃FN₄O₂

SMILES:

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

InChI:

InChI=1/C19H23FN4O2/c1-14(2)13-24(19(26)17-12-21-8-9-22-17)10-7-18(25)23-11-15-3-5-16(20)6-4-15/h3-6,8-9,12,14H,7,10-11,13H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1987 kcal/mol

Physical Properties
Molecular Weight: 358.417 g/mol	logS: -1.90978	SlogP: 2.6868	Reactive groups: 0

Topological Properties
Globularity: 0.0510943	Sterimol/B1: 3.35784	Sterimol/B2: 3.58181	Sterimol/B3: 4.71091
Sterimol/B4: 7.37875	Sterimol/L: 17.4157

Surface and Volume Properties
Accessible surface: 626.456	Positive charged surface: 429.614	Negative charged surface: 196.842	Volume: 345.625
Hydrophobic surface: 503.692	Hydrophilic surface: 122.764

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: no related molecules available.