MMsINC Database Search


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MMsINC code: MMs01369336

Type: Neutral
Formula: C₁₄H₁₄N₄O₅

SMILES:

O1CCC2(NC(=O)N(CC(=O)NC(=O)N)C2=O)c2c1cccc2

InChI:

InChI=1/C14H14N4O5/c15-12(21)16-10(19)7-18-11(20)14(17-13(18)22)5-6-23-9-4-2-1-3-8(9)14/h1-4H,5-7H2,(H,17,22)(H3,15,16,19,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.4688 kcal/mol

Physical Properties
Molecular Weight: 318.289 g/mol	logS: -2.71047	SlogP: -0.2774	Reactive groups: 0

Topological Properties
Globularity: 0.061638	Sterimol/B1: 2.55961	Sterimol/B2: 3.30835	Sterimol/B3: 4.5963
Sterimol/B4: 7.4116	Sterimol/L: 15.9464

Surface and Volume Properties
Accessible surface: 516.343	Positive charged surface: 318.374	Negative charged surface: 197.969	Volume: 268.5
Hydrophobic surface: 259.53	Hydrophilic surface: 256.813

Pharmacophoric Properties
Hydrogen bond donors: 3	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.