MMsINC Database Search


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MMsINC code: MMs00975708

Type: Neutral
Formula: C₂₃H₁₅F₂N₃O

SMILES:

Fc1ccc(-n2nc(c3c2c2cc(F)ccc2nc3)-c2cc(OC)ccc2)cc1

InChI:

InChI=1/C23H15F2N3O/c1-29-18-4-2-3-14(11-18)22-20-13-26-21-10-7-16(25)12-19(21)23(20)28(27-22)17-8-5-15(24)6-9-17/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.991 kcal/mol

Physical Properties
Molecular Weight: 387.389 g/mol	logS: -7.00953	SlogP: 5.5275	Reactive groups: 0

Topological Properties
Globularity: 0.0349701	Sterimol/B1: 2.23567	Sterimol/B2: 3.85092	Sterimol/B3: 4.86751
Sterimol/B4: 7.44257	Sterimol/L: 16.4237

Surface and Volume Properties
Accessible surface: 609.631	Positive charged surface: 338.98	Negative charged surface: 260.752	Volume: 348.125
Hydrophobic surface: 561.818	Hydrophilic surface: 47.813

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.