MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01355832

Type: Neutral
Formula: C₂₃H₂₉NO₆

SMILES:

O(C)c1c(OC)cc(cc1OC)C(OCC(=O)N(Cc1ccccc1)C(C)(C)C)=O

InChI:

InChI=1/C23H29NO6/c1-23(2,3)24(14-16-10-8-7-9-11-16)20(25)15-30-22(26)17-12-18(27-4)21(29-6)19(13-17)28-5/h7-13H,14-15H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=182.487 kcal/mol

Physical Properties
Molecular Weight: 415.486 g/mol	logS: -4.73386	SlogP: 3.9629	Reactive groups: 0

Topological Properties
Globularity: 0.0590312	Sterimol/B1: 2.98888	Sterimol/B2: 3.24647	Sterimol/B3: 4.70582
Sterimol/B4: 8.14383	Sterimol/L: 18.2279

Surface and Volume Properties
Accessible surface: 710.19	Positive charged surface: 510.762	Negative charged surface: 199.428	Volume: 405
Hydrophobic surface: 578.863	Hydrophilic surface: 131.327

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.