MMsINC Database Search


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MMsINC code: MMs01161298

Type: Neutral
Formula: C₁₉H₂₃FN₄O₂

SMILES:

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

InChI:

InChI=1/C19H23FN4O2/c1-2-3-11-24(19(26)17-14-21-9-10-22-17)12-8-18(25)23-13-15-4-6-16(20)7-5-15/h4-7,9-10,14H,2-3,8,11-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7217 kcal/mol

Physical Properties
Molecular Weight: 358.417 g/mol	logS: -2.22323	SlogP: 2.8309	Reactive groups: 0

Topological Properties
Globularity: 0.052807	Sterimol/B1: 2.33385	Sterimol/B2: 3.12017	Sterimol/B3: 3.89586
Sterimol/B4: 9.37813	Sterimol/L: 18.2919

Surface and Volume Properties
Accessible surface: 643.818	Positive charged surface: 445.382	Negative charged surface: 198.436	Volume: 345.875
Hydrophobic surface: 525.533	Hydrophilic surface: 118.285

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.