MMsINC Database Search


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MMsINC code: MMs03590778

Type: Neutral
Formula: C₁₄H₁₇N₃O₄

SMILES:

OC(=O)c1ccccc1\C=N\N/C(/O)=C\C(=O)NC(C)C

InChI:

InChI=1/C14H17N3O4/c1-9(2)16-12(18)7-13(19)17-15-8-10-5-3-4-6-11(10)14(20)21/h3-9,17,19H,1-2H3,(H,16,18)(H,20,21)/b13-7+,15-8+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8465 kcal/mol

Physical Properties
Molecular Weight: 291.307 g/mol	logS: -2.2153	SlogP: 1.2323	Reactive groups: 0

Topological Properties
Globularity: 0.0262675	Sterimol/B1: 1.99128	Sterimol/B2: 4.51003	Sterimol/B3: 4.63432
Sterimol/B4: 6.11475	Sterimol/L: 17.1042

Surface and Volume Properties
Accessible surface: 554.255	Positive charged surface: 344.703	Negative charged surface: 209.552	Volume: 274.25
Hydrophobic surface: 323.222	Hydrophilic surface: 231.033

Pharmacophoric Properties
Hydrogen bond donors: 5	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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