MMsINC Database Search


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MMsINC code: MMs02128519

Type: Neutral
Formula: C₁₄H₁₃F₂N₃O

SMILES:

Fc1cc(F)ccc1NC(=O)c1cnccc1N(C)C

InChI:

InChI=1/C14H13F2N3O/c1-19(2)13-5-6-17-8-10(13)14(20)18-12-4-3-9(15)7-11(12)16/h3-8H,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.694 kcal/mol

Physical Properties
Molecular Weight: 277.274 g/mol	logS: -2.6141	SlogP: 2.6781	Reactive groups: 0

Topological Properties
Globularity: 0.0647077	Sterimol/B1: 2.3011	Sterimol/B2: 2.8778	Sterimol/B3: 4.82172
Sterimol/B4: 6.34377	Sterimol/L: 13.7179

Surface and Volume Properties
Accessible surface: 484.58	Positive charged surface: 331.385	Negative charged surface: 153.195	Volume: 249
Hydrophobic surface: 445.037	Hydrophilic surface: 39.543

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.