MMsINC Database Search


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MMsINC code: MMs01065961

Type: Neutral
Formula: C₂₃H₂₁FN₄O

SMILES:

Fc1ccc(-n2nc(C)c(C(=O)N(Cc3ccccc3)C)c2-n2cccc2)cc1

InChI:

InChI=1/C23H21FN4O/c1-17-21(23(29)26(2)16-18-8-4-3-5-9-18)22(27-14-6-7-15-27)28(25-17)20-12-10-19(24)11-13-20/h3-15H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.278 kcal/mol

Physical Properties
Molecular Weight: 388.446 g/mol	logS: -4.42755	SlogP: 4.64912	Reactive groups: 0

Topological Properties
Globularity: 0.10559	Sterimol/B1: 2.07992	Sterimol/B2: 3.35098	Sterimol/B3: 4.2214
Sterimol/B4: 9.61918	Sterimol/L: 15.3062

Surface and Volume Properties
Accessible surface: 605.298	Positive charged surface: 344.234	Negative charged surface: 261.065	Volume: 373.75
Hydrophobic surface: 546.358	Hydrophilic surface: 58.94

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: 1

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Ions/Tautomers related molecules: no related molecules available.