MMsINC Database Search


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MMsINC code: MMs00975634

Type: Neutral
Formula: C₂₄H₁₇F₂N₃

SMILES:

Fc1cc(F)cc2c1ncc1c2n(nc1-c1ccccc1)-c1cccc(C)c1C

InChI:

InChI=1/C24H17F2N3/c1-14-7-6-10-21(15(14)2)29-24-18-11-17(25)12-20(26)23(18)27-13-19(24)22(28-29)16-8-4-3-5-9-16/h3-13H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.096 kcal/mol

Physical Properties
Molecular Weight: 385.417 g/mol	logS: -7.59354	SlogP: 6.13574	Reactive groups: 0

Topological Properties
Globularity: 0.113849	Sterimol/B1: 2.54435	Sterimol/B2: 2.75264	Sterimol/B3: 5.90184
Sterimol/B4: 9.80319	Sterimol/L: 15.4283

Surface and Volume Properties
Accessible surface: 609.991	Positive charged surface: 322.695	Negative charged surface: 279.404	Volume: 357.75
Hydrophobic surface: 577.815	Hydrophilic surface: 32.176

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.