MMsINC Database Search


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MMsINC code: MMs01273949

Type: Neutral
Formula: C₂₄H₂₃NO₃S

SMILES:

S(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cc2OCCOc2cc1

InChI:

InChI=1/C24H23NO3S/c26-24(18-29-21-11-12-22-23(15-21)28-14-13-27-22)25(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-12,15H,13-14,16-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.003 kcal/mol

Physical Properties
Molecular Weight: 405.518 g/mol	logS: -6.25826	SlogP: 5.3117	Reactive groups: 0

Topological Properties
Globularity: 0.0509871	Sterimol/B1: 2.67828	Sterimol/B2: 2.88042	Sterimol/B3: 4.41708
Sterimol/B4: 10.9113	Sterimol/L: 17.8612

Surface and Volume Properties
Accessible surface: 669.612	Positive charged surface: 398.946	Negative charged surface: 270.666	Volume: 391.625
Hydrophobic surface: 581.407	Hydrophilic surface: 88.205

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.