MMsINC Database Search


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MMsINC code: MMs03851833

Type: Neutral
Formula: C₂₄H₂₃NS

SMILES:

S(Cc1cc(ccc1)C)c1c2c(n(c1)Cc1ccccc1C)cccc2

InChI:

InChI=1/C24H23NS/c1-18-8-7-10-20(14-18)17-26-24-16-25(23-13-6-5-12-22(23)24)15-21-11-4-3-9-19(21)2/h3-14,16H,15,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3469 kcal/mol

Physical Properties
Molecular Weight: 357.521 g/mol	logS: -7.07383	SlogP: 7.13154	Reactive groups: 0

Topological Properties
Globularity: 0.0937295	Sterimol/B1: 2.32346	Sterimol/B2: 4.28604	Sterimol/B3: 5.73125
Sterimol/B4: 7.80888	Sterimol/L: 17.0651

Surface and Volume Properties
Accessible surface: 646.102	Positive charged surface: 361.878	Negative charged surface: 278.486	Volume: 371.875
Hydrophobic surface: 597.141	Hydrophilic surface: 48.961

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.