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MMsINC code: MMs00484340

Type: Neutral
Formula: C₁₈H₁₇NO₄

SMILES:

OC(=O)C(NC(=O)C)Cc1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C18H17NO4/c1-12(20)19-16(18(22)23)11-13-7-9-15(10-8-13)17(21)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20)(H,22,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6078 kcal/mol

Physical Properties
Molecular Weight: 311.337 g/mol	logS: -3.66849	SlogP: 2.04937	Reactive groups: 0

Topological Properties
Globularity: 0.0996319	Sterimol/B1: 1.99474	Sterimol/B2: 3.4685	Sterimol/B3: 4.95955
Sterimol/B4: 7.57587	Sterimol/L: 16.2066

Surface and Volume Properties
Accessible surface: 560.391	Positive charged surface: 305.015	Negative charged surface: 255.376	Volume: 296
Hydrophobic surface: 398.875	Hydrophilic surface: 161.516

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00484341
BACHEM-ZINC02567641