MMsINC Database Search


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MMsINC code: MMs01425670

Type: Neutral
Formula: C₁₇H₁₆N₂O₄

SMILES:

O(C(=O)c1ccccc1NC(=O)Cc1ccccc1)CC(=O)N

InChI:

InChI=1/C17H16N2O4/c18-15(20)11-23-17(22)13-8-4-5-9-14(13)19-16(21)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.601 kcal/mol

Physical Properties
Molecular Weight: 312.325 g/mol	logS: -4.07663	SlogP: 1.50987	Reactive groups: 0

Topological Properties
Globularity: 0.0417384	Sterimol/B1: 3.23174	Sterimol/B2: 3.71532	Sterimol/B3: 4.10382
Sterimol/B4: 6.86414	Sterimol/L: 17.9308

Surface and Volume Properties
Accessible surface: 576.948	Positive charged surface: 355.731	Negative charged surface: 221.217	Volume: 292.25
Hydrophobic surface: 404.84	Hydrophilic surface: 172.108

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: no related molecules available.