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MMsINC code: MMs00562011

Type: Neutral
Formula: C₁₁H₁₈N₄O₃

SMILES:

O=C1N(C)C(=O)CC1N1CCN(CC1)CC(=O)N

InChI:

InChI=1/C11H18N4O3/c1-13-10(17)6-8(11(13)18)15-4-2-14(3-5-15)7-9(12)16/h8H,2-7H2,1H3,(H2,12,16)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8494 kcal/mol

Physical Properties
Molecular Weight: 254.29 g/mol	logS: -0.29837	SlogP: -2.1534	Reactive groups: 0

Topological Properties
Globularity: 0.126175	Sterimol/B1: 2.13731	Sterimol/B2: 2.75057	Sterimol/B3: 4.73966
Sterimol/B4: 5.9342	Sterimol/L: 13.313

Surface and Volume Properties
Accessible surface: 456.27	Positive charged surface: 352.039	Negative charged surface: 104.231	Volume: 234.625
Hydrophobic surface: 277.603	Hydrophilic surface: 178.667

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00562012
CHEMBLOCK-ZINC04615299