MMsINC Database Search


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MMsINC code: MMs01088961

Type: Neutral
Formula: C₂₃H₁₄N₂O₂

SMILES:

O=C1N(C(=O)c2c1c(c1c(c2)cccc1)-c1ccccc1)c1ccncc1

InChI:

InChI=1/C23H14N2O2/c26-22-19-14-16-8-4-5-9-18(16)20(15-6-2-1-3-7-15)21(19)23(27)25(22)17-10-12-24-13-11-17/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.604 kcal/mol

Physical Properties
Molecular Weight: 350.377 g/mol	logS: -6.80471	SlogP: 4.7024	Reactive groups: 0

Topological Properties
Globularity: 0.0397396	Sterimol/B1: 2.53505	Sterimol/B2: 3.39503	Sterimol/B3: 3.4172
Sterimol/B4: 10.0265	Sterimol/L: 15.4056

Surface and Volume Properties
Accessible surface: 574.415	Positive charged surface: 334.293	Negative charged surface: 228.49	Volume: 329.75
Hydrophobic surface: 504.311	Hydrophilic surface: 70.104

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.