MMsINC Database Search


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MMsINC code: MMs03167757

Type: Neutral
Formula: C₁₄H₁₉N₃O₄

SMILES:

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

InChI:

InChI=1/C14H19N3O4/c1-10(13(15)19)16-12(18)8-17(2)14(20)21-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,15,19)(H,16,18)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.3044 kcal/mol

Physical Properties
Molecular Weight: 293.323 g/mol	logS: -2.28018	SlogP: 0.5114	Reactive groups: 0

Topological Properties
Globularity: 0.0521834	Sterimol/B1: 2.35892	Sterimol/B2: 2.82476	Sterimol/B3: 4.26147
Sterimol/B4: 6.08576	Sterimol/L: 18.348

Surface and Volume Properties
Accessible surface: 570.812	Positive charged surface: 385.745	Negative charged surface: 185.066	Volume: 282.25
Hydrophobic surface: 371.684	Hydrophilic surface: 199.128

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: no related molecules available.