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MMsINC code: MMs02338075

Type: Neutral
Formula: C₁₇H₁₅NO₅

SMILES:

O(C(C(O)=O)c1ccccc1)C(=O)CNC(=O)c1ccccc1

InChI:

InChI=1/C17H15NO5/c19-14(11-18-16(20)13-9-5-2-6-10-13)23-15(17(21)22)12-7-3-1-4-8-12/h1-10,15H,11H2,(H,18,20)(H,21,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.74 kcal/mol

Physical Properties
Molecular Weight: 313.309 g/mol	logS: -3.70292	SlogP: 1.881	Reactive groups: 1

Topological Properties
Globularity: 0.0472935	Sterimol/B1: 2.71654	Sterimol/B2: 3.08478	Sterimol/B3: 5.2716
Sterimol/B4: 5.4241	Sterimol/L: 18.0853

Surface and Volume Properties
Accessible surface: 575.476	Positive charged surface: 311.815	Negative charged surface: 263.661	Volume: 288.625
Hydrophobic surface: 413.136	Hydrophilic surface: 162.34

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

MMs02338076
NCID-ZINC01710894