MMsINC Database Search


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MMsINC code: MMs01181292

Type: Neutral
Formula: C₂₃H₂₇NO₂

SMILES:

O1CCc2cc(ccc12)C(=O)N(CC1CCCCC1)Cc1ccccc1

InChI:

InChI=1/C23H27NO2/c25-23(21-11-12-22-20(15-21)13-14-26-22)24(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.321 kcal/mol

Physical Properties
Molecular Weight: 349.474 g/mol	logS: -5.60154	SlogP: 5.11057	Reactive groups: 0

Topological Properties
Globularity: 0.13488	Sterimol/B1: 2.41017	Sterimol/B2: 2.80273	Sterimol/B3: 4.97537
Sterimol/B4: 10.9817	Sterimol/L: 14.3189

Surface and Volume Properties
Accessible surface: 614.074	Positive charged surface: 417.367	Negative charged surface: 196.707	Volume: 360.75
Hydrophobic surface: 573.085	Hydrophilic surface: 40.989

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.