MMsINC Database Search


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MMsINC code: MMs01214723

Type: Neutral
Formula: C₁₄H₁₄F₂N₂O₂S

SMILES:

S1CC(=O)N(CC(=O)NC2CC2)C1c1ccc(F)cc1F

InChI:

InChI=1/C14H14F2N2O2S/c15-8-1-4-10(11(16)5-8)14-18(13(20)7-21-14)6-12(19)17-9-2-3-9/h1,4-5,9,14H,2-3,6-7H2,(H,17,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0977 kcal/mol

Physical Properties
Molecular Weight: 312.34 g/mol	logS: -3.76138	SlogP: 1.9129	Reactive groups: 0

Topological Properties
Globularity: 0.19965	Sterimol/B1: 2.49961	Sterimol/B2: 3.50271	Sterimol/B3: 5.36233
Sterimol/B4: 7.63742	Sterimol/L: 12.2556

Surface and Volume Properties
Accessible surface: 502.137	Positive charged surface: 286.298	Negative charged surface: 215.839	Volume: 268.125
Hydrophobic surface: 352.906	Hydrophilic surface: 149.231

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.