MMsINC Database Search


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MMsINC code: MMs02268600

Type: Neutral
Formula: C₁₅H₁₄N₄O₂

SMILES:

O=C1N(N(Cc2ccccc2)C(=O)N1N)c1ccccc1

InChI:

InChI=1/C15H14N4O2/c16-18-14(20)17(11-12-7-3-1-4-8-12)19(15(18)21)13-9-5-2-6-10-13/h1-10H,11,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.214 kcal/mol

Physical Properties
Molecular Weight: 282.303 g/mol	logS: -3.45333	SlogP: 2.6059	Reactive groups: 0

Topological Properties
Globularity: 0.225418	Sterimol/B1: 2.60158	Sterimol/B2: 2.65467	Sterimol/B3: 4.74335
Sterimol/B4: 8.68392	Sterimol/L: 12.3022

Surface and Volume Properties
Accessible surface: 489.09	Positive charged surface: 273.186	Negative charged surface: 215.904	Volume: 265
Hydrophobic surface: 342.549	Hydrophilic surface: 146.541

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.