MMsINC Database Search


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MMsINC code: MMs02367686

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

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

InChI:

InChI=1/C17H18N2O2/c1-13(20)18-17(21)19-16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,18,19,20,21)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6454 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.59627	SlogP: 2.91157	Reactive groups: 0

Topological Properties
Globularity: 0.169886	Sterimol/B1: 2.07688	Sterimol/B2: 3.42304	Sterimol/B3: 3.84351
Sterimol/B4: 9.91573	Sterimol/L: 14.2333

Surface and Volume Properties
Accessible surface: 550.275	Positive charged surface: 315.532	Negative charged surface: 234.743	Volume: 282.75
Hydrophobic surface: 465.002	Hydrophilic surface: 85.273

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.