MMsINC Database Search


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MMsINC code: MMs01469216

Type: Neutral
Formula: C₁₇H₁₆N₂O₄

SMILES:

O(C(=O)c1ccccc1C)CC(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C17H16N2O4/c1-11-4-2-3-5-14(11)17(22)23-10-15(20)19-13-8-6-12(7-9-13)16(18)21/h2-9H,10H2,1H3,(H2,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6284 kcal/mol

Physical Properties
Molecular Weight: 312.325 g/mol	logS: -4.48908	SlogP: 1.88942	Reactive groups: 0

Topological Properties
Globularity: 0.0111474	Sterimol/B1: 2.63123	Sterimol/B2: 2.6894	Sterimol/B3: 2.74807
Sterimol/B4: 6.69814	Sterimol/L: 18.4509

Surface and Volume Properties
Accessible surface: 572.803	Positive charged surface: 337.303	Negative charged surface: 235.501	Volume: 290.625
Hydrophobic surface: 396.177	Hydrophilic surface: 176.626

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.