MMsINC Database Search


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MMsINC code: MMs00326825

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O(C(=O)C(NC(=O)CNC(=O)C)Cc1ccccc1)CC

InChI:

InChI=1/C15H20N2O4/c1-3-21-15(20)13(9-12-7-5-4-6-8-12)17-14(19)10-16-11(2)18/h4-8,13H,3,9-10H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1843 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.50779	SlogP: 0.41307	Reactive groups: 0

Topological Properties
Globularity: 0.0973103	Sterimol/B1: 2.452	Sterimol/B2: 3.24448	Sterimol/B3: 3.92301
Sterimol/B4: 10.2352	Sterimol/L: 15.4796

Surface and Volume Properties
Accessible surface: 574.935	Positive charged surface: 369.338	Negative charged surface: 205.597	Volume: 285.375
Hydrophobic surface: 427.288	Hydrophilic surface: 147.647

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.