MMsINC Database Search


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MMsINC code: MMs03161184

Type: Neutral
Formula: C₁₄H₂₅N₃O₄

SMILES:

OC(=O)CCCC(=O)N1CCN(CC1)CC(=O)NC(C)C

InChI:

InChI=1/C14H25N3O4/c1-11(2)15-12(18)10-16-6-8-17(9-7-16)13(19)4-3-5-14(20)21/h11H,3-10H2,1-2H3,(H,15,18)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2817 kcal/mol

Physical Properties
Molecular Weight: 299.371 g/mol	logS: -0.49229	SlogP: -0.0899	Reactive groups: 0

Topological Properties
Globularity: 0.0299115	Sterimol/B1: 3.14303	Sterimol/B2: 3.37057	Sterimol/B3: 3.97372
Sterimol/B4: 5.3656	Sterimol/L: 19.3254

Surface and Volume Properties
Accessible surface: 579.591	Positive charged surface: 442.91	Negative charged surface: 136.681	Volume: 294.875
Hydrophobic surface: 368.514	Hydrophilic surface: 211.077

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.