MMsINC Database Search


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MMsINC code: MMs03809123

Type: Neutral
Formula: C₁₇H₁₁NO₂

SMILES:

o1c2c(nc1-c1ccc3c(cccc3)c1O)cccc2

InChI:

InChI=1/C17H11NO2/c19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17/h1-10,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0695 kcal/mol

Physical Properties
Molecular Weight: 261.28 g/mol	logS: -6.21648	SlogP: 4.3536	Reactive groups: 0

Topological Properties
Globularity: 0.00149312	Sterimol/B1: 2.13414	Sterimol/B2: 2.15115	Sterimol/B3: 3.98648
Sterimol/B4: 4.50879	Sterimol/L: 15.9763

Surface and Volume Properties
Accessible surface: 482.771	Positive charged surface: 262.324	Negative charged surface: 209.376	Volume: 246
Hydrophobic surface: 413.245	Hydrophilic surface: 69.526

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.