MMsINC Database Search


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MMsINC code: MMs03423189

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cc(ccc1OC)/C(=N\OC(=O)c1ccc(OCCC)cc1)/C

InChI:

InChI=1/C20H23NO5/c1-5-12-25-17-9-6-15(7-10-17)20(22)26-21-14(2)16-8-11-18(23-3)19(13-16)24-4/h6-11,13H,5,12H2,1-4H3/b21-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.767 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -4.6685	SlogP: 4.0736	Reactive groups: 0

Topological Properties
Globularity: 0.0547506	Sterimol/B1: 3.46456	Sterimol/B2: 4.26358	Sterimol/B3: 4.57087
Sterimol/B4: 8.33916	Sterimol/L: 17.2926

Surface and Volume Properties
Accessible surface: 664.959	Positive charged surface: 469.779	Negative charged surface: 195.18	Volume: 351.125
Hydrophobic surface: 561.638	Hydrophilic surface: 103.321

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

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Ions/Tautomers related molecules: no related molecules available.