MMsINC Database Search


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MMsINC code: MMs03097666

Type: Neutral
Formula: C₂₆H₂₂F₂N₄O

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)c1n(nc(c1)-c1ccccc1)-c1ccc(F)cc1

InChI:

InChI=1/C26H22F2N4O/c27-20-10-12-21(13-11-20)32-25(18-23(29-32)19-6-2-1-3-7-19)26(33)31-16-14-30(15-17-31)24-9-5-4-8-22(24)28/h1-13,18H,14-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=201.892 kcal/mol

Physical Properties
Molecular Weight: 444.485 g/mol	logS: -6.58758	SlogP: 4.7799	Reactive groups: 0

Topological Properties
Globularity: 0.103479	Sterimol/B1: 2.41826	Sterimol/B2: 4.08474	Sterimol/B3: 4.7315
Sterimol/B4: 12.672	Sterimol/L: 17.4304

Surface and Volume Properties
Accessible surface: 714.266	Positive charged surface: 402.053	Negative charged surface: 312.213	Volume: 412.625
Hydrophobic surface: 669.807	Hydrophilic surface: 44.459

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.