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MMsINC code: MMs01752785

Type: Neutral
Formula: C₁₇H₁₈N₂O₃

SMILES:

OC(=O)C(NC(=O)Nc1cc(ccc1)C)Cc1ccccc1

InChI:

InChI=1/C17H18N2O3/c1-12-6-5-9-14(10-12)18-17(22)19-15(16(20)21)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,20,21)(H2,18,19,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9367 kcal/mol

Physical Properties
Molecular Weight: 298.342 g/mol	logS: -3.72732	SlogP: 2.81239	Reactive groups: 0

Topological Properties
Globularity: 0.0937979	Sterimol/B1: 3.10737	Sterimol/B2: 4.39067	Sterimol/B3: 5.09867
Sterimol/B4: 6.16089	Sterimol/L: 14.357

Surface and Volume Properties
Accessible surface: 556.092	Positive charged surface: 322.589	Negative charged surface: 233.503	Volume: 290.5
Hydrophobic surface: 425.068	Hydrophilic surface: 131.024

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs01752786
IBS-ZINC00547041