MMsINC Database Search


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MMsINC code: MMs03140476

Type: Neutral
Formula: C₁₈H₁₅NO₄S

SMILES:

S(=O)(=O)(N1CCCC1)c1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C18H15NO4S/c20-17-12-6-1-2-7-13(12)18(21)16-14(17)8-5-9-15(16)24(22,23)19-10-3-4-11-19/h1-2,5-9H,3-4,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4269 kcal/mol

Physical Properties
Molecular Weight: 341.387 g/mol	logS: -4.35094	SlogP: 2.2465	Reactive groups: 0

Topological Properties
Globularity: 0.0437832	Sterimol/B1: 3.25306	Sterimol/B2: 3.61826	Sterimol/B3: 3.64685
Sterimol/B4: 6.12195	Sterimol/L: 16.072

Surface and Volume Properties
Accessible surface: 525.816	Positive charged surface: 306.574	Negative charged surface: 219.242	Volume: 298.5
Hydrophobic surface: 425.346	Hydrophilic surface: 100.47

Pharmacophoric Properties
Hydrogen bond donors: 0	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.