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MMsINC code: MMs02738588

Type: Neutral
Formula: C₁₆H₁₃NO₃

SMILES:

O=C1N(CC(O)=O)C(c2c1cccc2)c1ccccc1

InChI:

InChI=1/C16H13NO3/c18-14(19)10-17-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(17)20/h1-9,15H,10H2,(H,18,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4647 kcal/mol

Physical Properties
Molecular Weight: 267.284 g/mol	logS: -3.31116	SlogP: 2.4119	Reactive groups: 0

Topological Properties
Globularity: 0.250154	Sterimol/B1: 2.28889	Sterimol/B2: 3.47898	Sterimol/B3: 4.29042
Sterimol/B4: 9.01908	Sterimol/L: 11.3525

Surface and Volume Properties
Accessible surface: 481.72	Positive charged surface: 261.216	Negative charged surface: 220.504	Volume: 253
Hydrophobic surface: 350.936	Hydrophilic surface: 130.784

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02738589
PUBCHEM-ZINC00810710