MMsINC Database Search


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MMsINC code: MMs01959061

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

OC(=O)C1CCN(CC1)C(=O)CNC(=O)c1ccccc1

InChI:

InChI=1/C15H18N2O4/c18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8689 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -1.90229	SlogP: 0.7396	Reactive groups: 0

Topological Properties
Globularity: 0.0340783	Sterimol/B1: 3.05261	Sterimol/B2: 3.54024	Sterimol/B3: 3.87463
Sterimol/B4: 4.34901	Sterimol/L: 17.6782

Surface and Volume Properties
Accessible surface: 533.115	Positive charged surface: 336.62	Negative charged surface: 196.495	Volume: 272.625
Hydrophobic surface: 365.462	Hydrophilic surface: 167.653

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01959062
IBS-ZINC06645566