MMsINC Database Search


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MMsINC code: MMs02351312

Type: Neutral
Formula: C₁₃H₁₉N₃O₃

SMILES:

OC(=O)C(NCc1ccccc1)CC(=O)NN(C)C

InChI:

InChI=1/C13H19N3O3/c1-16(2)15-12(17)8-11(13(18)19)14-9-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,15,17)(H,18,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.93 kcal/mol

Physical Properties
Molecular Weight: 265.313 g/mol	logS: -0.94858	SlogP: 0.4787	Reactive groups: 0

Topological Properties
Globularity: 0.0716207	Sterimol/B1: 2.47671	Sterimol/B2: 4.02984	Sterimol/B3: 4.15659
Sterimol/B4: 7.52488	Sterimol/L: 14.4362

Surface and Volume Properties
Accessible surface: 529.774	Positive charged surface: 381.802	Negative charged surface: 147.971	Volume: 262.25
Hydrophobic surface: 398.055	Hydrophilic surface: 131.719

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.