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MMsINC code: MMs01087075

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

OC(=O)c1ccc(NC(=O)CCCCCNC(=O)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.1084 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.22353	SlogP: 2.0198	Reactive groups: 0

Topological Properties
Globularity: 0.0130408	Sterimol/B1: 2.52469	Sterimol/B2: 2.98377	Sterimol/B3: 3.08444
Sterimol/B4: 5.17923	Sterimol/L: 21.0412

Surface and Volume Properties
Accessible surface: 581.473	Positive charged surface: 388.646	Negative charged surface: 192.826	Volume: 285.875
Hydrophobic surface: 386.303	Hydrophilic surface: 195.17

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs01087076
CHEMSTAR-ZINC04015761