MMsINC Database Search


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MMsINC code: MMs00446501

Type: Neutral
Formula: C₁₆H₁₃NO₂

SMILES:

OC=1c2c(N(C(=O)C=1C)c1ccccc1)cccc2

InChI:

InChI=1/C16H13NO2/c1-11-15(18)13-9-5-6-10-14(13)17(16(11)19)12-7-3-2-4-8-12/h2-10,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5208 kcal/mol

Physical Properties
Molecular Weight: 251.285 g/mol	logS: -3.62409	SlogP: 3.6539	Reactive groups: 0

Topological Properties
Globularity: 0.106277	Sterimol/B1: 2.23715	Sterimol/B2: 3.62358	Sterimol/B3: 3.62379
Sterimol/B4: 8.57704	Sterimol/L: 12.6612

Surface and Volume Properties
Accessible surface: 453.529	Positive charged surface: 258.688	Negative charged surface: 194.841	Volume: 243.75
Hydrophobic surface: 393.885	Hydrophilic surface: 59.644

Pharmacophoric Properties
Hydrogen bond donors: 1	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.