MMsINC Database Search


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MMsINC code: MMs00483240

Type: Neutral
Formula: C₁₅H₂₉N₃O₄

SMILES:

OC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C

InChI:

InChI=1/C15H29N3O4/c1-7(2)10(16)13(19)17-11(8(3)4)14(20)18-12(9(5)6)15(21)22/h7-12H,16H2,1-6H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11-,12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6556 kcal/mol

Physical Properties
Molecular Weight: 315.414 g/mol	logS: -1.81513	SlogP: 0.3359	Reactive groups: 0

Topological Properties
Globularity: 0.0957189	Sterimol/B1: 2.44535	Sterimol/B2: 2.70322	Sterimol/B3: 4.75321
Sterimol/B4: 7.63922	Sterimol/L: 15.4125

Surface and Volume Properties
Accessible surface: 576.347	Positive charged surface: 389.967	Negative charged surface: 186.379	Volume: 318
Hydrophobic surface: 306.355	Hydrophilic surface: 269.992

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.