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MMsINC code: MMs00526097

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)NC(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C18H19NO5/c1-23-15-9-8-13(11-16(15)24-2)17(20)19-14(18(21)22)10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,19,20)(H,21,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3748 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -3.45698	SlogP: 2.12947	Reactive groups: 0

Topological Properties
Globularity: 0.181672	Sterimol/B1: 2.47906	Sterimol/B2: 3.04127	Sterimol/B3: 5.83861
Sterimol/B4: 7.70845	Sterimol/L: 14.0774

Surface and Volume Properties
Accessible surface: 588.413	Positive charged surface: 387.72	Negative charged surface: 200.693	Volume: 313.125
Hydrophobic surface: 454.35	Hydrophilic surface: 134.063

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

MMs00526098
CHEMBLOCK-ZINC01439805