MMsINC Database Search


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MMsINC code: MMs01071473

Type: Neutral
Formula: C₂₁H₁₆F₂N₄O₂

SMILES:

Fc1cc(NC(=O)CN2N(C(=O)c3cccnc23)c2ccc(cc2)C)ccc1F

InChI:

InChI=1/C21H16F2N4O2/c1-13-4-7-15(8-5-13)27-21(29)16-3-2-10-24-20(16)26(27)12-19(28)25-14-6-9-17(22)18(23)11-14/h2-11H,12H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.368 kcal/mol

Physical Properties
Molecular Weight: 394.381 g/mol	logS: -5.31354	SlogP: 3.68872	Reactive groups: 0

Topological Properties
Globularity: 0.143508	Sterimol/B1: 2.0429	Sterimol/B2: 3.56331	Sterimol/B3: 4.04385
Sterimol/B4: 12.6347	Sterimol/L: 13.8126

Surface and Volume Properties
Accessible surface: 633.555	Positive charged surface: 354.542	Negative charged surface: 279.013	Volume: 347.125
Hydrophobic surface: 543.229	Hydrophilic surface: 90.326

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.