MMsINC Database Search


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MMsINC code: MMs03218494

Type: Neutral
Formula: C₁₁H₁₀N₂O

SMILES:

OC(c1ncccc1)c1ncccc1

InChI:

InChI=1/C11H10N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8,11,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6017 kcal/mol

Physical Properties
Molecular Weight: 186.214 g/mol	logS: -0.71336	SlogP: 1.6538	Reactive groups: 0

Topological Properties
Globularity: 0.169348	Sterimol/B1: 2.93563	Sterimol/B2: 3.7177	Sterimol/B3: 4.60875
Sterimol/B4: 4.61849	Sterimol/L: 11.5135

Surface and Volume Properties
Accessible surface: 389.856	Positive charged surface: 250.604	Negative charged surface: 139.251	Volume: 184.875
Hydrophobic surface: 338.049	Hydrophilic surface: 51.807

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.