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MMsINC code: MMs01413166

Type: Neutral
Formula: C₂₄H₂₆N₂OS

SMILES:

S(C)c1ccc(cc1)CN(CC(=O)NC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C24H26N2OS/c1-26(17-19-13-15-22(28-2)16-14-19)18-23(27)25-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,24H,17-18H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.747 kcal/mol

Physical Properties
Molecular Weight: 390.551 g/mol	logS: -5.9861	SlogP: 5.108	Reactive groups: 0

Topological Properties
Globularity: 0.0682131	Sterimol/B1: 2.54891	Sterimol/B2: 2.88563	Sterimol/B3: 4.79899
Sterimol/B4: 8.5182	Sterimol/L: 19.9763

Surface and Volume Properties
Accessible surface: 702.804	Positive charged surface: 414.796	Negative charged surface: 288.009	Volume: 397.125
Hydrophobic surface: 629.386	Hydrophilic surface: 73.418

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01413167
ENAMINE-ZINC03390393