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MMsINC code: MMs02082712

Type: Neutral
Formula: C₁₅H₂₀N₄O₄

SMILES:

O1CCN(CC1)CCNC(=O)C(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C15H20N4O4/c16-13(20)11-1-3-12(4-2-11)18-15(22)14(21)17-5-6-19-7-9-23-10-8-19/h1-4H,5-10H2,(H2,16,20)(H,17,21)(H,18,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3981 kcal/mol

Physical Properties
Molecular Weight: 320.349 g/mol	logS: -2.20103	SlogP: -0.8276	Reactive groups: 0

Topological Properties
Globularity: 0.0236576	Sterimol/B1: 2.63615	Sterimol/B2: 2.73677	Sterimol/B3: 3.95544
Sterimol/B4: 4.89563	Sterimol/L: 20.2898

Surface and Volume Properties
Accessible surface: 582.495	Positive charged surface: 416.88	Negative charged surface: 165.614	Volume: 295.5
Hydrophobic surface: 366.668	Hydrophilic surface: 215.827

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

MMs02082713
IFLAB-ZINC05251031