MMsINC Database Search


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MMsINC code: MMs01442412

Type: Neutral
Formula: C₂₄H₁₉NO₃S

SMILES:

s1cccc1CN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)Cc1occc1

InChI:

InChI=1/C24H19NO3S/c26-23(18-6-2-1-3-7-18)19-10-12-20(13-11-19)24(27)25(16-21-8-4-14-28-21)17-22-9-5-15-29-22/h1-15H,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.888 kcal/mol

Physical Properties
Molecular Weight: 401.486 g/mol	logS: -6.59187	SlogP: 5.9475	Reactive groups: 0

Topological Properties
Globularity: 0.0507835	Sterimol/B1: 2.74645	Sterimol/B2: 4.84266	Sterimol/B3: 5.40422
Sterimol/B4: 8.06677	Sterimol/L: 16.7516

Surface and Volume Properties
Accessible surface: 658.431	Positive charged surface: 316.323	Negative charged surface: 342.108	Volume: 378.25
Hydrophobic surface: 578.987	Hydrophilic surface: 79.444

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

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Ions/Tautomers related molecules: no related molecules available.