MMsINC Database Search


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MMsINC code: MMs02148236

Type: Neutral
Formula: C₁₇H₁₄F₂N₂O₃S

SMILES:

S(=O)(=O)(NCc1c(noc1C)-c1ccccc1)c1ccc(F)cc1F

InChI:

InChI=1/C17H14F2N2O3S/c1-11-14(17(21-24-11)12-5-3-2-4-6-12)10-20-25(22,23)16-8-7-13(18)9-15(16)19/h2-9,20H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.4198 kcal/mol

Physical Properties
Molecular Weight: 364.372 g/mol	logS: -4.93564	SlogP: 3.67312	Reactive groups: 0

Topological Properties
Globularity: 0.11262	Sterimol/B1: 2.35753	Sterimol/B2: 4.15396	Sterimol/B3: 4.57496
Sterimol/B4: 8.29175	Sterimol/L: 15.359

Surface and Volume Properties
Accessible surface: 549.215	Positive charged surface: 243.161	Negative charged surface: 306.055	Volume: 302.125
Hydrophobic surface: 452.489	Hydrophilic surface: 96.726

Pharmacophoric Properties
Hydrogen bond donors: 1	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.