MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00107559

Type: Neutral
Formula: C₁₄H₁₄N₄O₃

SMILES:

O(c1ccc(cc1)C(=O)NN)c1ccc(cc1)C(=O)NN

InChI:

InChI=1/C14H14N4O3/c15-17-13(19)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(20)18-16/h1-8H,15-16H2,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.656 kcal/mol

Physical Properties
Molecular Weight: 286.291 g/mol	logS: -3.63169	SlogP: 0.6859	Reactive groups: 0

Topological Properties
Globularity: 0.0468161	Sterimol/B1: 3.16308	Sterimol/B2: 3.43217	Sterimol/B3: 4.06013
Sterimol/B4: 5.12314	Sterimol/L: 17.9372

Surface and Volume Properties
Accessible surface: 522.21	Positive charged surface: 303.714	Negative charged surface: 218.496	Volume: 257
Hydrophobic surface: 263.869	Hydrophilic surface: 258.341

Pharmacophoric Properties
Hydrogen bond donors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.