MMsINC Database Search


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MMsINC code: MMs00629045

Type: Neutral
Formula: C₁₅H₁₅NO₄S

SMILES:

s1ccc(NC(=O)Cc2ccc(OC)cc2)c1C(OC)=O

InChI:

InChI=1/C15H15NO4S/c1-19-11-5-3-10(4-6-11)9-13(17)16-12-7-8-21-14(12)15(18)20-2/h3-8H,9H2,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5947 kcal/mol

Physical Properties
Molecular Weight: 305.354 g/mol	logS: -3.65512	SlogP: 2.72447	Reactive groups: 0

Topological Properties
Globularity: 0.0477046	Sterimol/B1: 2.80956	Sterimol/B2: 3.78485	Sterimol/B3: 4.657
Sterimol/B4: 5.44098	Sterimol/L: 18.4659

Surface and Volume Properties
Accessible surface: 553.168	Positive charged surface: 358.105	Negative charged surface: 195.063	Volume: 275.75
Hydrophobic surface: 479.329	Hydrophilic surface: 73.839

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.