MMsINC Database Search


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MMsINC code: MMs02331056

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(Cc1ccccc1)C(=O)N(C)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C16H15NO4/c1-17(14-9-7-13(8-10-14)15(18)19)16(20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8712 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.2951	SlogP: 3.4242	Reactive groups: 0

Topological Properties
Globularity: 0.054562	Sterimol/B1: 2.25755	Sterimol/B2: 2.90687	Sterimol/B3: 4.52236
Sterimol/B4: 5.38765	Sterimol/L: 18.1444

Surface and Volume Properties
Accessible surface: 542.918	Positive charged surface: 335.226	Negative charged surface: 207.692	Volume: 272
Hydrophobic surface: 411.657	Hydrophilic surface: 131.261

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

MMs02331057
NCID-ZINC01701510