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MMsINC code: MMs01492545

Type: Neutral
Formula: C₁₉H₂₅FN₄O₃

SMILES:

Fc1ccc(cc1)C(=O)N(CC(C)C)C=1C(=O)NC(=O)N(CC(C)C)C=1N

InChI:

InChI=1/C19H25FN4O3/c1-11(2)9-23(18(26)13-5-7-14(20)8-6-13)15-16(21)24(10-12(3)4)19(27)22-17(15)25/h5-8,11-12H,9-10,21H2,1-4H3,(H,22,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.332 kcal/mol

Physical Properties
Molecular Weight: 376.432 g/mol	logS: -4.00969	SlogP: 2.2595	Reactive groups: 0

Topological Properties
Globularity: 0.164095	Sterimol/B1: 3.31094	Sterimol/B2: 4.52049	Sterimol/B3: 4.96041
Sterimol/B4: 8.36103	Sterimol/L: 13.9886

Surface and Volume Properties
Accessible surface: 574.348	Positive charged surface: 357.19	Negative charged surface: 217.158	Volume: 348.5
Hydrophobic surface: 376.894	Hydrophilic surface: 197.454

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.