MMsINC Database Search


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

MMsINC code: MMs01429567

Type: Neutral
Formula: C₂₀H₂₅NO₅

SMILES:

O(C)c1cc(ccc1OC)CCN(C(=O)c1cc(OC)cc(OC)c1)C

InChI:

InChI=1/C20H25NO5/c1-21(9-8-14-6-7-18(25-4)19(10-14)26-5)20(22)15-11-16(23-2)13-17(12-15)24-3/h6-7,10-13H,8-9H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.423 kcal/mol

Physical Properties
Molecular Weight: 359.422 g/mol	logS: -3.45591	SlogP: 3.03567	Reactive groups: 0

Topological Properties
Globularity: 0.0246207	Sterimol/B1: 2.54915	Sterimol/B2: 2.81758	Sterimol/B3: 3.3018
Sterimol/B4: 7.55759	Sterimol/L: 19.3951

Surface and Volume Properties
Accessible surface: 654.401	Positive charged surface: 526.25	Negative charged surface: 128.151	Volume: 355.5
Hydrophobic surface: 588.541	Hydrophilic surface: 65.86

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.