MMsINC Database Search


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MMsINC code: MMs00253641

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

OC(=O)CCNC(=O)c1ccccc1NC(=O)C(C)(C)C

InChI:

InChI=1/C15H20N2O4/c1-15(2,3)14(21)17-11-7-5-4-6-10(11)13(20)16-9-8-12(18)19/h4-7H,8-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3059 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.22353	SlogP: 1.8757	Reactive groups: 0

Topological Properties
Globularity: 0.047262	Sterimol/B1: 2.57366	Sterimol/B2: 3.54979	Sterimol/B3: 4.13062
Sterimol/B4: 7.60851	Sterimol/L: 15.7476

Surface and Volume Properties
Accessible surface: 545.675	Positive charged surface: 347.532	Negative charged surface: 198.143	Volume: 280.625
Hydrophobic surface: 347.771	Hydrophilic surface: 197.904

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs00253642
ASINEX-ZINC01410293