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MMsINC code: MMs02273556

Type: Neutral
Formula: C₁₅H₁₆N₄O₅

SMILES:

O=C1N(C)C(=O)N(C=C1NC(=O)CNc1ccc(cc1)C(O)=O)C

InChI:

InChI=1/C15H16N4O5/c1-18-8-11(13(21)19(2)15(18)24)17-12(20)7-16-10-5-3-9(4-6-10)14(22)23/h3-6,8,16H,7H2,1-2H3,(H,17,20)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4836 kcal/mol

Physical Properties
Molecular Weight: 332.316 g/mol	logS: -1.99939	SlogP: 0.2781	Reactive groups: 0

Topological Properties
Globularity: 0.0311873	Sterimol/B1: 2.41285	Sterimol/B2: 2.46124	Sterimol/B3: 3.85245
Sterimol/B4: 6.72208	Sterimol/L: 18.5466

Surface and Volume Properties
Accessible surface: 572.292	Positive charged surface: 385.562	Negative charged surface: 186.73	Volume: 290.875
Hydrophobic surface: 349.812	Hydrophilic surface: 222.48

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

MMs02273557
NCID-ZINC01627330