MMsINC Database Search


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MMsINC code: MMs02034478

Type: Neutral
Formula: C₁₄H₁₄N₂O₃S

SMILES:

s1ccc(C(=O)NC)c1NC(=O)c1ccccc1OC

InChI:

InChI=1/C14H14N2O3S/c1-15-12(17)10-7-8-20-14(10)16-13(18)9-5-3-4-6-11(9)19-2/h3-8H,1-2H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3228 kcal/mol

Physical Properties
Molecular Weight: 290.343 g/mol	logS: -3.51639	SlogP: 2.3686	Reactive groups: 0

Topological Properties
Globularity: 0.00651474	Sterimol/B1: 2.37295	Sterimol/B2: 2.37903	Sterimol/B3: 3.18328
Sterimol/B4: 7.71615	Sterimol/L: 14.7122

Surface and Volume Properties
Accessible surface: 510.887	Positive charged surface: 329.409	Negative charged surface: 181.479	Volume: 262.125
Hydrophobic surface: 441.604	Hydrophilic surface: 69.283

Pharmacophoric Properties
Hydrogen bond donors: 2	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.