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MMsINC code: MMs02823651

Type: Neutral
Formula: C₁₆H₁₅NO₃

SMILES:

OC(=O)CN(C(=O)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C16H15NO3/c18-15(11-13-7-3-1-4-8-13)17(12-16(19)20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8511 kcal/mol

Physical Properties
Molecular Weight: 269.3 g/mol	logS: -3.30619	SlogP: 2.34687	Reactive groups: 0

Topological Properties
Globularity: 0.163071	Sterimol/B1: 2.99362	Sterimol/B2: 3.65839	Sterimol/B3: 3.95269
Sterimol/B4: 7.09181	Sterimol/L: 14.0359

Surface and Volume Properties
Accessible surface: 510.349	Positive charged surface: 289.825	Negative charged surface: 220.524	Volume: 262
Hydrophobic surface: 402.17	Hydrophilic surface: 108.179

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs02823652
PUBCHEM-ZINC01845213