MMsINC Database Search


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MMsINC code: MMs01418583

Type: Neutral
Formula: C₁₈H₁₅FN₄O₃S

SMILES:

S(CC(=O)NC(=O)N)C1=Nc2c(cccc2)C(=O)N1Cc1ccc(F)cc1

InChI:

InChI=1/C18H15FN4O3S/c19-12-7-5-11(6-8-12)9-23-16(25)13-3-1-2-4-14(13)21-18(23)27-10-15(24)22-17(20)26/h1-8H,9-10H2,(H3,20,22,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.975 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -5.70327	SlogP: 2.6637	Reactive groups: 0

Topological Properties
Globularity: 0.0772523	Sterimol/B1: 2.80782	Sterimol/B2: 3.37328	Sterimol/B3: 4.34697
Sterimol/B4: 10.8292	Sterimol/L: 15.3013

Surface and Volume Properties
Accessible surface: 607.995	Positive charged surface: 345.893	Negative charged surface: 262.102	Volume: 328
Hydrophobic surface: 386.844	Hydrophilic surface: 221.151

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.