MMsINC Database Search


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MMsINC code: MMs03255926

Type: Neutral
Formula: C₂₂H₁₄N₂O

SMILES:

O(c1c2c(nc3c1cccc3)cccc2)c1c2ncccc2ccc1

InChI:

InChI=1/C22H14N2O/c1-3-11-18-16(9-1)22(17-10-2-4-12-19(17)24-18)25-20-13-5-7-15-8-6-14-23-21(15)20/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.448 kcal/mol

Physical Properties
Molecular Weight: 322.367 g/mol	logS: -6.19135	SlogP: 5.7285	Reactive groups: 0

Topological Properties
Globularity: 0.145448	Sterimol/B1: 2.44073	Sterimol/B2: 3.99157	Sterimol/B3: 5.2728
Sterimol/B4: 9.62225	Sterimol/L: 14.139

Surface and Volume Properties
Accessible surface: 558.374	Positive charged surface: 305.67	Negative charged surface: 241.607	Volume: 313.125
Hydrophobic surface: 518.942	Hydrophilic surface: 39.432

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.