MMsINC Database Search


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MMsINC code: MMs00975606

Type: Neutral
Formula: C₂₄H₁₇F₂N₃

SMILES:

Fc1cc(F)cc2c1ncc1c2n(nc1-c1ccccc1)-c1ccccc1CC

InChI:

InChI=1/C24H17F2N3/c1-2-15-8-6-7-11-21(15)29-24-18-12-17(25)13-20(26)23(18)27-14-19(24)22(28-29)16-9-4-3-5-10-16/h3-14H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.249 kcal/mol

Physical Properties
Molecular Weight: 385.417 g/mol	logS: -7.63484	SlogP: 6.08127	Reactive groups: 0

Topological Properties
Globularity: 0.151177	Sterimol/B1: 2.45732	Sterimol/B2: 3.9155	Sterimol/B3: 7.12739
Sterimol/B4: 7.85825	Sterimol/L: 14.9359

Surface and Volume Properties
Accessible surface: 605.923	Positive charged surface: 318.164	Negative charged surface: 281.528	Volume: 361.875
Hydrophobic surface: 553.701	Hydrophilic surface: 52.222

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.