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MMsINC code: MMs00472546

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

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

InChI:

InChI=1/C14H20N2O3/c1-10(2)12(13(17)18)15-14(19)16(3)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(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)=34.3128 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -1.99283	SlogP: 2.2036	Reactive groups: 0

Topological Properties
Globularity: 0.0799209	Sterimol/B1: 3.02496	Sterimol/B2: 3.73857	Sterimol/B3: 4.0965
Sterimol/B4: 5.4762	Sterimol/L: 14.3473

Surface and Volume Properties
Accessible surface: 500.641	Positive charged surface: 338.569	Negative charged surface: 162.072	Volume: 267
Hydrophobic surface: 357.839	Hydrophilic surface: 142.802

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

MMs00472547
AURORAFEINCHEMIE-ZINC05163299