MMsINC Database Search


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

MMsINC code: MMs00390143

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

Oc1ccc(cc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1cc(ccc1)C

InChI:

InChI=1/C23H18N2O2/c1-16-5-4-6-18(15-16)25-22(14-11-17-9-12-19(26)13-10-17)24-21-8-3-2-7-20(21)23(25)27/h2-15,26H,1H3/b14-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.401 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.29501	SlogP: 5.10442	Reactive groups: 0

Topological Properties
Globularity: 0.0812332	Sterimol/B1: 2.29567	Sterimol/B2: 2.54295	Sterimol/B3: 6.06666
Sterimol/B4: 9.93682	Sterimol/L: 16.8211

Surface and Volume Properties
Accessible surface: 622.339	Positive charged surface: 349.032	Negative charged surface: 273.307	Volume: 349.375
Hydrophobic surface: 530.953	Hydrophilic surface: 91.386

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.