MMsINC Database Search


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MMsINC code: MMs03263412

Type: Neutral
Formula: C₁₄H₁₄N₄O₂

SMILES:

O=C1N(C)C(=O)N=C2N(c3cc(C)c(cc3N=C12)C)C

InChI:

InChI=1/C14H14N4O2/c1-7-5-9-10(6-8(7)2)17(3)12-11(15-9)13(19)18(4)14(20)16-12/h5-6H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3054 kcal/mol

Physical Properties
Molecular Weight: 270.292 g/mol	logS: -3.78676	SlogP: 1.81624	Reactive groups: 0

Topological Properties
Globularity: 0.0148801	Sterimol/B1: 2.38068	Sterimol/B2: 2.4217	Sterimol/B3: 2.51209
Sterimol/B4: 6.72825	Sterimol/L: 14.3411

Surface and Volume Properties
Accessible surface: 475.033	Positive charged surface: 322.464	Negative charged surface: 152.568	Volume: 249.125
Hydrophobic surface: 353.452	Hydrophilic surface: 121.581

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.