MMsINC Database Search


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

MMsINC code: MMs02788453

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1c2ncccc2ccc1C(NC(=O)c1ccccc1)c1ccccc1C

InChI:

InChI=1/C24H20N2O2/c1-16-8-5-6-12-19(16)22(26-24(28)18-9-3-2-4-10-18)20-14-13-17-11-7-15-25-21(17)23(20)27/h2-15,22,27H,1H3,(H,26,28)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.099 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.76732	SlogP: 4.86372	Reactive groups: 0

Topological Properties
Globularity: 0.164601	Sterimol/B1: 2.32047	Sterimol/B2: 4.18002	Sterimol/B3: 6.09429
Sterimol/B4: 8.61616	Sterimol/L: 15.8449

Surface and Volume Properties
Accessible surface: 629.513	Positive charged surface: 357.736	Negative charged surface: 266.653	Volume: 360.75
Hydrophobic surface: 553.473	Hydrophilic surface: 76.04

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.