MMsINC Database Search


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MMsINC code: MMs01114959

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C(=O)NC(CC)C)cc1)CC

InChI:

InChI=1/C15H20N2O4/c1-4-10(3)16-13(18)14(19)17-12-8-6-11(7-9-12)15(20)21-5-2/h6-10H,4-5H2,1-3H3,(H,16,18)(H,17,19)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2644 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -3.32467	SlogP: 1.7165	Reactive groups: 0

Topological Properties
Globularity: 0.0229776	Sterimol/B1: 2.45467	Sterimol/B2: 2.474	Sterimol/B3: 4.37872
Sterimol/B4: 7.19726	Sterimol/L: 18.3201

Surface and Volume Properties
Accessible surface: 582.73	Positive charged surface: 378.947	Negative charged surface: 203.783	Volume: 285.5
Hydrophobic surface: 393.125	Hydrophilic surface: 189.605

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: no related molecules available.