MMsINC Database Search


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MMsINC code: MMs00581171

Type: Neutral
Formula: C₁₄H₂₀N₆O₂

SMILES:

O=C1N(C)C(=O)N(c2ncn(c12)CC\N=C/1\N(CCC\1)C)C

InChI:

InChI=1/C14H20N6O2/c1-17-7-4-5-10(17)15-6-8-20-9-16-12-11(20)13(21)19(3)14(22)18(12)2/h9H,4-8H2,1-3H3/b15-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.0158912 kcal/mol

Physical Properties
Molecular Weight: 304.354 g/mol	logS: -1.08221	SlogP: 0.9154	Reactive groups: 0

Topological Properties
Globularity: 0.041966	Sterimol/B1: 2.67828	Sterimol/B2: 3.58517	Sterimol/B3: 4.57951
Sterimol/B4: 5.76868	Sterimol/L: 15.6413

Surface and Volume Properties
Accessible surface: 546.083	Positive charged surface: 475.088	Negative charged surface: 70.9956	Volume: 291.125
Hydrophobic surface: 444.236	Hydrophilic surface: 101.847

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.