MMsINC Database Search


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MMsINC code: MMs02815693

Type: Neutral
Formula: C₁₁H₁₆N₄O₂

SMILES:

O=C1N(C)C(=O)N(c2ncn(c12)C)CC(C)C

InChI:

InChI=1/C11H16N4O2/c1-7(2)5-15-9-8(13(3)6-12-9)10(16)14(4)11(15)17/h6-7H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-10.2155 kcal/mol

Physical Properties
Molecular Weight: 236.275 g/mol	logS: -1.41908	SlogP: 1.4473	Reactive groups: 0

Topological Properties
Globularity: 0.0834934	Sterimol/B1: 2.40326	Sterimol/B2: 4.09549	Sterimol/B3: 4.6617
Sterimol/B4: 5.65759	Sterimol/L: 12.0613

Surface and Volume Properties
Accessible surface: 440.484	Positive charged surface: 352.191	Negative charged surface: 88.2927	Volume: 225.625
Hydrophobic surface: 328.057	Hydrophilic surface: 112.427

Pharmacophoric Properties
Hydrogen bond donors: 0	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.