MMsINC Database Search


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MMsINC code: MMs01394316

Type: Neutral
Formula: C₂₃H₂₀N₂O₂S

SMILES:

S(C)c1ccc(cc1)CN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H20N2O2S/c1-28-20-14-12-17(13-15-20)16-25-21(26)23(24-22(25)27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3069 kcal/mol

Physical Properties
Molecular Weight: 388.491 g/mol	logS: -6.35959	SlogP: 4.982	Reactive groups: 0

Topological Properties
Globularity: 0.164983	Sterimol/B1: 3.62313	Sterimol/B2: 5.29406	Sterimol/B3: 5.35262
Sterimol/B4: 6.22624	Sterimol/L: 17.0991

Surface and Volume Properties
Accessible surface: 638.811	Positive charged surface: 331.289	Negative charged surface: 307.522	Volume: 371.25
Hydrophobic surface: 528.575	Hydrophilic surface: 110.236

Pharmacophoric Properties
Hydrogen bond donors: 1	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.