MMsINC Database Search


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MMsINC code: MMs00855423

Type: Neutral
Formula: C₁₉H₁₉NO₅

SMILES:

O(C)c1ccc(OC)cc1C(=O)CC1(O)c2c(N(C)C1=O)cccc2

InChI:

InChI=1/C19H19NO5/c1-20-15-7-5-4-6-14(15)19(23,18(20)22)11-16(21)13-10-12(24-2)8-9-17(13)25-3/h4-10,23H,11H2,1-3H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.219 kcal/mol

Physical Properties
Molecular Weight: 341.363 g/mol	logS: -3.48277	SlogP: 2.4523	Reactive groups: 0

Topological Properties
Globularity: 0.0867039	Sterimol/B1: 2.10161	Sterimol/B2: 3.86815	Sterimol/B3: 5.75236
Sterimol/B4: 7.68786	Sterimol/L: 14.9276

Surface and Volume Properties
Accessible surface: 585.741	Positive charged surface: 421.15	Negative charged surface: 164.591	Volume: 317.125
Hydrophobic surface: 501.043	Hydrophilic surface: 84.698

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.