MMsINC Database Search


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MMsINC code: MMs01677649

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O1CCN(CC1)C(=O)c1cc(Oc2ccc(cc2)C(C)(C)C)nc2c1cccc2

InChI:

InChI=1/C24H26N2O3/c1-24(2,3)17-8-10-18(11-9-17)29-22-16-20(19-6-4-5-7-21(19)25-22)23(27)26-12-14-28-15-13-26/h4-11,16H,12-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.159 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -6.41859	SlogP: 4.797	Reactive groups: 0

Topological Properties
Globularity: 0.0572258	Sterimol/B1: 2.56885	Sterimol/B2: 3.3969	Sterimol/B3: 4.90194
Sterimol/B4: 7.21084	Sterimol/L: 18.796

Surface and Volume Properties
Accessible surface: 670.91	Positive charged surface: 451.36	Negative charged surface: 215.656	Volume: 390.25
Hydrophobic surface: 568.974	Hydrophilic surface: 101.936

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: 1

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Ions/Tautomers related molecules: no related molecules available.