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MMsINC code: MMs03483348

Type: Neutral
Formula: C₁₄H₁₈N₂O₃

SMILES:

OC(=O)C(NC(=O)N1CCCC1)Cc1ccccc1

InChI:

InChI=1/C14H18N2O3/c17-13(18)12(10-11-6-2-1-3-7-11)15-14(19)16-8-4-5-9-16/h1-3,6-7,12H,4-5,8-10H2,(H,15,19)(H,17,18)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.6339 kcal/mol

Physical Properties
Molecular Weight: 262.309 g/mol	logS: -1.87593	SlogP: 1.48767	Reactive groups: 0

Topological Properties
Globularity: 0.137105	Sterimol/B1: 2.5183	Sterimol/B2: 3.23792	Sterimol/B3: 3.65275
Sterimol/B4: 9.22565	Sterimol/L: 12.4174

Surface and Volume Properties
Accessible surface: 496.616	Positive charged surface: 325.128	Negative charged surface: 171.488	Volume: 254.125
Hydrophobic surface: 379.278	Hydrophilic surface: 117.338

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03483349
PUBCHEM-ZINC05999276