MMsINC Database Search


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MMsINC code: MMs01609906

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(NC(Cc1ccccc1)C(=O)NC)c1ccccc1

InChI:

InChI=1/C17H18N2O2/c1-18-17(21)15(12-13-8-4-2-5-9-13)19-16(20)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,21)(H,19,20)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7482 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.53295	SlogP: 1.77367	Reactive groups: 0

Topological Properties
Globularity: 0.136704	Sterimol/B1: 2.20542	Sterimol/B2: 3.38666	Sterimol/B3: 3.99609
Sterimol/B4: 10.5133	Sterimol/L: 13.8459

Surface and Volume Properties
Accessible surface: 543.269	Positive charged surface: 329.242	Negative charged surface: 214.027	Volume: 285.5
Hydrophobic surface: 471.434	Hydrophilic surface: 71.835

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.