MMsINC Database Search


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MMsINC code: MMs01684561

Type: Neutral
Formula: C₂₁H₁₈N₂O₃S

SMILES:

S(CC(=O)N)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C21H18N2O3S/c22-20(24)14-27-19-13-7-5-11-17(19)23-21(25)16-10-4-6-12-18(16)26-15-8-2-1-3-9-15/h1-13H,14H2,(H2,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.687 kcal/mol

Physical Properties
Molecular Weight: 378.452 g/mol	logS: -6.43754	SlogP: 4.3086	Reactive groups: 0

Topological Properties
Globularity: 0.0420242	Sterimol/B1: 3.55574	Sterimol/B2: 3.82092	Sterimol/B3: 5.01188
Sterimol/B4: 6.65822	Sterimol/L: 19.3115

Surface and Volume Properties
Accessible surface: 647.515	Positive charged surface: 365.757	Negative charged surface: 281.758	Volume: 351.625
Hydrophobic surface: 482.914	Hydrophilic surface: 164.601

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.