MMsINC Database Search


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MMsINC code: MMs02288481

Type: Neutral
Formula: C₁₁H₁₆N₄O₃

SMILES:

O(CCC)c1nc2N(C)C(=O)N(C)C(=O)c2n1C

InChI:

InChI=1/C11H16N4O3/c1-5-6-18-10-12-8-7(13(10)2)9(16)15(4)11(17)14(8)3/h5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.431 kcal/mol

Physical Properties
Molecular Weight: 252.274 g/mol	logS: -1.86943	SlogP: 1.2099	Reactive groups: 0

Topological Properties
Globularity: 0.0228014	Sterimol/B1: 2.51412	Sterimol/B2: 2.51585	Sterimol/B3: 4.24556
Sterimol/B4: 5.70426	Sterimol/L: 15.1161

Surface and Volume Properties
Accessible surface: 488.387	Positive charged surface: 405.093	Negative charged surface: 83.2934	Volume: 236
Hydrophobic surface: 361.842	Hydrophilic surface: 126.545

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.