MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00729614

Type: Neutral
Formula: C₂₃H₂₃NOS

SMILES:

S(Cc1ccc(cc1)C(=O)NC(C)c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C23H23NOS/c1-17-8-14-22(15-9-17)26-16-19-10-12-21(13-11-19)23(25)24-18(2)20-6-4-3-5-7-20/h3-15,18H,16H2,1-2H3,(H,24,25)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1613 kcal/mol

Physical Properties
Molecular Weight: 361.509 g/mol	logS: -6.88934	SlogP: 6.14022	Reactive groups: 0

Topological Properties
Globularity: 0.0343264	Sterimol/B1: 3.20568	Sterimol/B2: 3.97775	Sterimol/B3: 4.17216
Sterimol/B4: 5.67122	Sterimol/L: 21.7378

Surface and Volume Properties
Accessible surface: 671.351	Positive charged surface: 367.771	Negative charged surface: 303.58	Volume: 370
Hydrophobic surface: 585.691	Hydrophilic surface: 85.66

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.