MMsINC Database Search


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MMsINC code: MMs00909873

Type: Neutral
Formula: C₂₆H₂₇NO₃

SMILES:

O(C)c1cc2CCN(Cc2cc1OC)C(=O)CC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H27NO3/c1-29-24-15-21-13-14-27(18-22(21)16-25(24)30-2)26(28)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,23H,13-14,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.564 kcal/mol

Physical Properties
Molecular Weight: 401.506 g/mol	logS: -5.0634	SlogP: 5.07707	Reactive groups: 0

Topological Properties
Globularity: 0.105698	Sterimol/B1: 3.25198	Sterimol/B2: 4.53199	Sterimol/B3: 5.91852
Sterimol/B4: 6.94928	Sterimol/L: 16.9712

Surface and Volume Properties
Accessible surface: 699.069	Positive charged surface: 492.949	Negative charged surface: 206.12	Volume: 405
Hydrophobic surface: 665.389	Hydrophilic surface: 33.68

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.