MMsINC Database Search


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MMsINC code: MMs01163667

Type: Neutral
Formula: C₂₄H₂₈N₂O₂

SMILES:

O(C)c1cc(ccc1)Cn1cccc1CN(C(=O)c1ccccc1)CCCC

InChI:

InChI=1/C24H28N2O2/c1-3-4-15-26(24(27)21-11-6-5-7-12-21)19-22-13-9-16-25(22)18-20-10-8-14-23(17-20)28-2/h5-14,16-17H,3-4,15,18-19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7089 kcal/mol

Physical Properties
Molecular Weight: 376.5 g/mol	logS: -4.54555	SlogP: 5.5203	Reactive groups: 0

Topological Properties
Globularity: 0.115908	Sterimol/B1: 2.1242	Sterimol/B2: 3.39722	Sterimol/B3: 4.71246
Sterimol/B4: 9.92411	Sterimol/L: 16.9383

Surface and Volume Properties
Accessible surface: 678.563	Positive charged surface: 436.635	Negative charged surface: 241.928	Volume: 395.875
Hydrophobic surface: 594.837	Hydrophilic surface: 83.726

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.