MMsINC Database Search


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MMsINC code: MMs03086419

Type: Neutral
Formula: C₁₉H₁₈F₂N₄O

SMILES:

Fc1cc(F)cc2c1nc(cc2NC(=O)Nc1ccc(N(C)C)cc1)C

InChI:

InChI=1/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.546 kcal/mol

Physical Properties
Molecular Weight: 356.376 g/mol	logS: -4.67135	SlogP: 4.53142	Reactive groups: 0

Topological Properties
Globularity: 0.0390446	Sterimol/B1: 2.09179	Sterimol/B2: 2.55001	Sterimol/B3: 4.5181
Sterimol/B4: 8.59554	Sterimol/L: 18.2334

Surface and Volume Properties
Accessible surface: 600.072	Positive charged surface: 381.265	Negative charged surface: 213.867	Volume: 325
Hydrophobic surface: 535.233	Hydrophilic surface: 64.839

Pharmacophoric Properties
Hydrogen bond donors: 2	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.