MMsINC Database Search


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MMsINC code: MMs00225831

Type: Neutral
Formula: C₂₆H₃₀N₂O₃

SMILES:

O(C)c1cc(ccc1OC)CN(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cccnc1

InChI:

InChI=1/C26H30N2O3/c1-26(2,3)22-11-9-21(10-12-22)25(29)28(18-20-7-6-14-27-16-20)17-19-8-13-23(30-4)24(15-19)31-5/h6-16H,17-18H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.171 kcal/mol

Physical Properties
Molecular Weight: 418.537 g/mol	logS: -5.82302	SlogP: 5.7717	Reactive groups: 0

Topological Properties
Globularity: 0.136157	Sterimol/B1: 3.98461	Sterimol/B2: 4.67551	Sterimol/B3: 5.25424
Sterimol/B4: 9.78461	Sterimol/L: 16.7994

Surface and Volume Properties
Accessible surface: 710.877	Positive charged surface: 505.967	Negative charged surface: 204.91	Volume: 428.375
Hydrophobic surface: 591.58	Hydrophilic surface: 119.297

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.