MMsINC Database Search


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MMsINC code: MMs01715144

Type: Neutral
Formula: C₁₉H₁₈FN₃O₄

SMILES:

Fc1cc(C(=O)c2cc3c(nc2)N(CC(C)C)C(=O)N(C)C3=O)c(O)cc1

InChI:

InChI=1/C19H18FN3O4/c1-10(2)9-23-17-14(18(26)22(3)19(23)27)6-11(8-21-17)16(25)13-7-12(20)4-5-15(13)24/h4-8,10,24H,9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7386 kcal/mol

Physical Properties
Molecular Weight: 371.368 g/mol	logS: -3.51563	SlogP: 2.8253	Reactive groups: 0

Topological Properties
Globularity: 0.082104	Sterimol/B1: 2.76213	Sterimol/B2: 4.7681	Sterimol/B3: 4.9015
Sterimol/B4: 5.90952	Sterimol/L: 15.9211

Surface and Volume Properties
Accessible surface: 603.283	Positive charged surface: 388.823	Negative charged surface: 214.459	Volume: 329
Hydrophobic surface: 424.935	Hydrophilic surface: 178.348

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.