MMsINC Database Search


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MMsINC code: MMs01009910

Type: Neutral
Formula: C₂₄H₂₇NO₃

SMILES:

o1cccc1CN(Cc1ccc(cc1)C(C)(C)C)C(=O)COc1ccccc1

InChI:

InChI=1/C24H27NO3/c1-24(2,3)20-13-11-19(12-14-20)16-25(17-22-10-7-15-27-22)23(26)18-28-21-8-5-4-6-9-21/h4-15H,16-18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.536 kcal/mol

Physical Properties
Molecular Weight: 377.484 g/mol	logS: -6.80879	SlogP: 5.7177	Reactive groups: 0

Topological Properties
Globularity: 0.0757172	Sterimol/B1: 3.08294	Sterimol/B2: 4.65611	Sterimol/B3: 5.03414
Sterimol/B4: 8.52783	Sterimol/L: 17.3924

Surface and Volume Properties
Accessible surface: 679.559	Positive charged surface: 390.042	Negative charged surface: 289.517	Volume: 388
Hydrophobic surface: 573.463	Hydrophilic surface: 106.096

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.