MMsINC Database Search


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MMsINC code: MMs00971501

Type: Neutral
Formula: C₂₀H₁₅F₂N₃O₂

SMILES:

Fc1cc(F)ccc1NC(=O)c1n(c-2c(c1)C(=O)N(c1c-2cccc1)C)C

InChI:

InChI=1/C20H15F2N3O2/c1-24-17(19(26)23-15-8-7-11(21)9-14(15)22)10-13-18(24)12-5-3-4-6-16(12)25(2)20(13)27/h3-10H,1-2H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.298 kcal/mol

Physical Properties
Molecular Weight: 367.355 g/mol	logS: -5.04866	SlogP: 4.1718	Reactive groups: 0

Topological Properties
Globularity: 0.00764754	Sterimol/B1: 2.52325	Sterimol/B2: 2.76701	Sterimol/B3: 3.05495
Sterimol/B4: 7.37794	Sterimol/L: 17.3566

Surface and Volume Properties
Accessible surface: 569.973	Positive charged surface: 311.588	Negative charged surface: 258.385	Volume: 322
Hydrophobic surface: 483.396	Hydrophilic surface: 86.577

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.