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MMsINC code: MMs01391511

Type: Neutral
Formula: C₁₄H₁₆N₂O₄

SMILES:

O=C1N(CC(O)=O)C(=O)NC1(CCc1ccccc1)C

InChI:

InChI=1/C14H16N2O4/c1-14(8-7-10-5-3-2-4-6-10)12(19)16(9-11(17)18)13(20)15-14/h2-6H,7-9H2,1H3,(H,15,20)(H,17,18)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.9927 kcal/mol

Physical Properties
Molecular Weight: 276.292 g/mol	logS: -2.38868	SlogP: 1.01427	Reactive groups: 0

Topological Properties
Globularity: 0.0823598	Sterimol/B1: 2.04985	Sterimol/B2: 3.06133	Sterimol/B3: 4.20347
Sterimol/B4: 6.22781	Sterimol/L: 16.2587

Surface and Volume Properties
Accessible surface: 496.996	Positive charged surface: 283.516	Negative charged surface: 213.48	Volume: 254.375
Hydrophobic surface: 292.738	Hydrophilic surface: 204.258

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs01391512
ENAMINE-ZINC03354137