MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00023920

Type: Neutral
Formula: C₁₅H₁₁NO₂

SMILES:

O1c2c(OC1)cc1[nH]c(cc1c2)-c1ccccc1

InChI:

InChI=1/C15H11NO2/c1-2-4-10(5-3-1)12-6-11-7-14-15(18-9-17-14)8-13(11)16-12/h1-8,16H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5085 kcal/mol

Physical Properties
Molecular Weight: 237.258 g/mol	logS: -4.02506	SlogP: 3.5636	Reactive groups: 0

Topological Properties
Globularity: 0.0049738	Sterimol/B1: 2.32438	Sterimol/B2: 2.69728	Sterimol/B3: 3.90271
Sterimol/B4: 4.01901	Sterimol/L: 15.8881

Surface and Volume Properties
Accessible surface: 452.285	Positive charged surface: 250.963	Negative charged surface: 195.693	Volume: 224.375
Hydrophobic surface: 373.702	Hydrophilic surface: 78.583

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.