MMsINC Database Search


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MMsINC code: MMs01743697

Type: Neutral
Formula: C₂₀H₂₆N₂O₂

SMILES:

OC(CC)(CC)C(=O)N(Nc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C20H26N2O2/c1-5-20(24,6-2)19(23)22(18-13-9-16(4)10-14-18)21-17-11-7-15(3)8-12-17/h7-14,21,24H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.998 kcal/mol

Physical Properties
Molecular Weight: 326.44 g/mol	logS: -4.80539	SlogP: 4.21464	Reactive groups: 0

Topological Properties
Globularity: 0.235149	Sterimol/B1: 2.26278	Sterimol/B2: 2.91001	Sterimol/B3: 7.14887
Sterimol/B4: 8.40705	Sterimol/L: 14.637

Surface and Volume Properties
Accessible surface: 579.511	Positive charged surface: 370.362	Negative charged surface: 209.149	Volume: 340.625
Hydrophobic surface: 505.707	Hydrophilic surface: 73.804

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.