MMsINC Database Search


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MMsINC code: MMs01163102

Type: Neutral
Formula: C₂₄H₂₈N₂O₃

SMILES:

O(Cc1ccccc1)CC(=O)N(Cc1n(ccc1)Cc1ccccc1)CCOC

InChI:

InChI=1/C24H28N2O3/c1-28-16-15-26(24(27)20-29-19-22-11-6-3-7-12-22)18-23-13-8-14-25(23)17-21-9-4-2-5-10-21/h2-14H,15-20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.147 kcal/mol

Physical Properties
Molecular Weight: 392.499 g/mol	logS: -3.73625	SlogP: 4.5274	Reactive groups: 0

Topological Properties
Globularity: 0.0947993	Sterimol/B1: 2.27649	Sterimol/B2: 3.94029	Sterimol/B3: 5.11106
Sterimol/B4: 9.89289	Sterimol/L: 19.2564

Surface and Volume Properties
Accessible surface: 721.929	Positive charged surface: 474.578	Negative charged surface: 247.351	Volume: 407.375
Hydrophobic surface: 653.097	Hydrophilic surface: 68.832

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.