MMsINC Database Search


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MMsINC code: MMs02543689

Type: Neutral
Formula: C₁₆H₁₅NO₃

SMILES:

OC(=O)C(N(C(=O)c1ccccc1)C)c1ccccc1

InChI:

InChI=1/C16H15NO3/c1-17(15(18)13-10-6-3-7-11-13)14(16(19)20)12-8-4-2-5-9-12/h2-11,14H,1H3,(H,19,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2678 kcal/mol

Physical Properties
Molecular Weight: 269.3 g/mol	logS: -3.18876	SlogP: 2.68	Reactive groups: 0

Topological Properties
Globularity: 0.128831	Sterimol/B1: 2.62502	Sterimol/B2: 3.79337	Sterimol/B3: 4.8549
Sterimol/B4: 5.71391	Sterimol/L: 13.8385

Surface and Volume Properties
Accessible surface: 480.367	Positive charged surface: 271.241	Negative charged surface: 209.126	Volume: 258.75
Hydrophobic surface: 377.997	Hydrophilic surface: 102.37

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

MMs02543690
OAKWOOD-ZINC02390748