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MMsINC code: MMs02182759

Type: Neutral
Formula: C₁₉H₁₉NO₆

SMILES:

O(C(=O)c1ccccc1)c1ccc(cc1OC)CC(NC(=O)C)C(O)=O

InChI:

InChI=1/C19H19NO6/c1-12(21)20-15(18(22)23)10-13-8-9-16(17(11-13)25-2)26-19(24)14-6-4-3-5-7-14/h3-9,11,15H,10H2,1-2H3,(H,20,21)(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.361 kcal/mol

Physical Properties
Molecular Weight: 357.362 g/mol	logS: -3.76012	SlogP: 2.04617	Reactive groups: 0

Topological Properties
Globularity: 0.0849856	Sterimol/B1: 1.97632	Sterimol/B2: 3.23402	Sterimol/B3: 4.41717
Sterimol/B4: 9.06581	Sterimol/L: 17.6818

Surface and Volume Properties
Accessible surface: 630.043	Positive charged surface: 382.094	Negative charged surface: 247.95	Volume: 332.375
Hydrophobic surface: 469.049	Hydrophilic surface: 160.994

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02182760
MDPI-ZINC03850383