MMsINC Database Search


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MMsINC code: MMs02720064

Type: Neutral
Formula: C₂₃H₂₉NO₂

SMILES:

O(Cc1cc(ccc1)C(=O)NC1CCCCC1)c1ccc(cc1)C(C)C

InChI:

InChI=1/C23H29NO2/c1-17(2)19-11-13-22(14-12-19)26-16-18-7-6-8-20(15-18)23(25)24-21-9-4-3-5-10-21/h6-8,11-15,17,21H,3-5,9-10,16H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.283 kcal/mol

Physical Properties
Molecular Weight: 351.49 g/mol	logS: -6.32479	SlogP: 5.7179	Reactive groups: 0

Topological Properties
Globularity: 0.0305721	Sterimol/B1: 2.33225	Sterimol/B2: 2.43227	Sterimol/B3: 4.91536
Sterimol/B4: 7.91245	Sterimol/L: 21.4873

Surface and Volume Properties
Accessible surface: 686.388	Positive charged surface: 457.686	Negative charged surface: 228.702	Volume: 372.25
Hydrophobic surface: 602.099	Hydrophilic surface: 84.289

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: no related molecules available.