MMsINC Database Search


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MMsINC code: MMs02855792

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

Oc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)N

InChI:

InChI=1/C16H16N2O3/c17-15(20)13(10-11-6-2-1-3-7-11)18-16(21)12-8-4-5-9-14(12)19/h1-9,13,19H,10H2,(H2,17,20)(H,18,21)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1893 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.27699	SlogP: 1.21857	Reactive groups: 0

Topological Properties
Globularity: 0.15836	Sterimol/B1: 2.493	Sterimol/B2: 3.40823	Sterimol/B3: 4.32435
Sterimol/B4: 9.18253	Sterimol/L: 12.8274

Surface and Volume Properties
Accessible surface: 516.952	Positive charged surface: 293.532	Negative charged surface: 223.42	Volume: 272.625
Hydrophobic surface: 355.373	Hydrophilic surface: 161.579

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: no related molecules available.