MMsINC Database Search


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MMsINC code: MMs03109939

Type: Neutral
Formula: C₂₃H₁₉FN₄O

SMILES:

Fc1ccc(Nc2ncnc3c2cc(cc3)-c2ccc(cc2)C(=O)N(C)C)cc1

InChI:

InChI=1/C23H19FN4O/c1-28(2)23(29)16-5-3-15(4-6-16)17-7-12-21-20(13-17)22(26-14-25-21)27-19-10-8-18(24)9-11-19/h3-14H,1-2H3,(H,25,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.836 kcal/mol

Physical Properties
Molecular Weight: 386.43 g/mol	logS: -6.8275	SlogP: 4.8813	Reactive groups: 0

Topological Properties
Globularity: 0.0163751	Sterimol/B1: 2.82518	Sterimol/B2: 3.28506	Sterimol/B3: 3.79361
Sterimol/B4: 7.8111	Sterimol/L: 19.72

Surface and Volume Properties
Accessible surface: 640.866	Positive charged surface: 387.161	Negative charged surface: 240.524	Volume: 363.25
Hydrophobic surface: 536.518	Hydrophilic surface: 104.348

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.