MMsINC Database Search


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MMsINC code: MMs01186916

Type: Neutral
Formula: C₂₀H₂₆F₂N₄O

SMILES:

Fc1cc(ccc1F)Cn1ccnc1CN(CC1CC1)C(=O)NC(C)(C)C

InChI:

InChI=1/C20H26F2N4O/c1-20(2,3)24-19(27)26(11-14-4-5-14)13-18-23-8-9-25(18)12-15-6-7-16(21)17(22)10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7504 kcal/mol

Physical Properties
Molecular Weight: 376.451 g/mol	logS: -3.56449	SlogP: 4.4625	Reactive groups: 0

Topological Properties
Globularity: 0.117263	Sterimol/B1: 2.59902	Sterimol/B2: 5.65365	Sterimol/B3: 5.97763
Sterimol/B4: 6.13508	Sterimol/L: 16.623

Surface and Volume Properties
Accessible surface: 636.481	Positive charged surface: 407.766	Negative charged surface: 228.715	Volume: 367.875
Hydrophobic surface: 496.237	Hydrophilic surface: 140.244

Pharmacophoric Properties
Hydrogen bond donors: 1	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.