MMsINC Database Search


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MMsINC code: MMs00117187

Type: Neutral
Formula: C₁₉H₁₉NO₅

SMILES:

O(C)c1cc(OC)ccc1C(=O)CC1(O)c2cc(ccc2NC1=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.156 kcal/mol

Physical Properties
Molecular Weight: 341.363 g/mol	logS: -4.06268	SlogP: 2.73642	Reactive groups: 0

Topological Properties
Globularity: 0.0613712	Sterimol/B1: 2.52479	Sterimol/B2: 2.89291	Sterimol/B3: 4.78392
Sterimol/B4: 7.70301	Sterimol/L: 16.1103

Surface and Volume Properties
Accessible surface: 589.906	Positive charged surface: 411.62	Negative charged surface: 178.287	Volume: 316.5
Hydrophobic surface: 468.752	Hydrophilic surface: 121.154

Pharmacophoric Properties
Hydrogen bond donors: 2	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.