MMsINC Database Search


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MMsINC code: MMs00892593

Type: Neutral
Formula: C₂₃H₁₇F₂N₃O

SMILES:

Fc1cc(-n2c3c(nc2C)cc(cc3)C(=O)N2CCc3c2cccc3)ccc1F

InChI:

InChI=1/C23H17F2N3O/c1-14-26-20-12-16(23(29)27-11-10-15-4-2-3-5-21(15)27)6-9-22(20)28(14)17-7-8-18(24)19(25)13-17/h2-9,12-13H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.66 kcal/mol

Physical Properties
Molecular Weight: 389.405 g/mol	logS: -6.15257	SlogP: 4.81499	Reactive groups: 0

Topological Properties
Globularity: 0.0252487	Sterimol/B1: 2.39259	Sterimol/B2: 3.13354	Sterimol/B3: 3.72354
Sterimol/B4: 7.50025	Sterimol/L: 18.3209

Surface and Volume Properties
Accessible surface: 621.691	Positive charged surface: 334.962	Negative charged surface: 286.729	Volume: 351.375
Hydrophobic surface: 564.861	Hydrophilic surface: 56.83

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.