MMsINC Database Search


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MMsINC code: MMs01153609

Type: Neutral
Formula: C₂₄H₃₄N₂O₂S

SMILES:

s1cccc1CN(Cc1ccccc1)C(=O)CN(C(=O)CCCCCC)CCC

InChI:

InChI=1/C24H34N2O2S/c1-3-5-6-10-15-23(27)25(16-4-2)20-24(28)26(19-22-14-11-17-29-22)18-21-12-8-7-9-13-21/h7-9,11-14,17H,3-6,10,15-16,18-20H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3656 kcal/mol

Physical Properties
Molecular Weight: 414.614 g/mol	logS: -5.86516	SlogP: 6.0187	Reactive groups: 0

Topological Properties
Globularity: 0.118715	Sterimol/B1: 2.91419	Sterimol/B2: 6.38682	Sterimol/B3: 6.62717
Sterimol/B4: 6.90801	Sterimol/L: 20.1493

Surface and Volume Properties
Accessible surface: 758.662	Positive charged surface: 496.546	Negative charged surface: 262.116	Volume: 432.625
Hydrophobic surface: 663.152	Hydrophilic surface: 95.51

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: 0

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Ions/Tautomers related molecules: no related molecules available.