MMsINC Database Search


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MMsINC code: MMs01611386

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(NCC(=O)NCc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C17H18N2O2/c20-16(11-14-7-3-1-4-8-14)19-13-17(21)18-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9177 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.53295	SlogP: 1.92807	Reactive groups: 0

Topological Properties
Globularity: 0.0484252	Sterimol/B1: 2.13001	Sterimol/B2: 3.61786	Sterimol/B3: 3.62105
Sterimol/B4: 5.12618	Sterimol/L: 19.0096

Surface and Volume Properties
Accessible surface: 577.169	Positive charged surface: 354.552	Negative charged surface: 222.617	Volume: 284.75
Hydrophobic surface: 473.473	Hydrophilic surface: 103.696

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.