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MMsINC code: MMs01477345

Type: Neutral
Formula: C₁₄H₁₅N₃O₅

SMILES:

O=C1N(NC(=O)c2c1cccc2)CC(OCC(=O)NCC)=O

InChI:

InChI=1/C14H15N3O5/c1-2-15-11(18)8-22-12(19)7-17-14(21)10-6-4-3-5-9(10)13(20)16-17/h3-6H,2,7-8H2,1H3,(H,15,18)(H,16,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3618 kcal/mol

Physical Properties
Molecular Weight: 305.29 g/mol	logS: -2.73986	SlogP: -0.5335	Reactive groups: 1

Topological Properties
Globularity: 0.042768	Sterimol/B1: 2.36987	Sterimol/B2: 3.61727	Sterimol/B3: 4.65297
Sterimol/B4: 5.08113	Sterimol/L: 18.9159

Surface and Volume Properties
Accessible surface: 551.072	Positive charged surface: 348.763	Negative charged surface: 202.309	Volume: 269.5
Hydrophobic surface: 333.642	Hydrophilic surface: 217.43

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.