MMsINC Database Search


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MMsINC code: MMs02865238

Type: Neutral
Formula: C₂₃H₁₉F₂N₃

SMILES:

Fc1cc2c(ncnc2NC(C(c2ccccc2)c2ccccc2)C)cc1F

InChI:

InChI=1/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4187 kcal/mol

Physical Properties
Molecular Weight: 375.422 g/mol	logS: -6.63114	SlogP: 5.5405	Reactive groups: 0

Topological Properties
Globularity: 0.170413	Sterimol/B1: 2.33031	Sterimol/B2: 2.85063	Sterimol/B3: 5.67207
Sterimol/B4: 8.42059	Sterimol/L: 16.6141

Surface and Volume Properties
Accessible surface: 615.164	Positive charged surface: 341.979	Negative charged surface: 267.782	Volume: 354.375
Hydrophobic surface: 534.717	Hydrophilic surface: 80.447

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.