MMsINC Database Search


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

MMsINC code: MMs01155721

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(CC(=O)NCc1c2c(ccnc2)c(cc1)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20N2O2/c27-24(17-28-20-9-5-2-6-10-20)26-15-19-11-12-21(18-7-3-1-4-8-18)22-13-14-25-16-23(19)22/h1-14,16H,15,17H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.021 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.42185	SlogP: 4.8634	Reactive groups: 0

Topological Properties
Globularity: 0.0650429	Sterimol/B1: 2.35377	Sterimol/B2: 3.4172	Sterimol/B3: 5.53208
Sterimol/B4: 6.25929	Sterimol/L: 20.8528

Surface and Volume Properties
Accessible surface: 657.58	Positive charged surface: 387.893	Negative charged surface: 257.321	Volume: 366.5
Hydrophobic surface: 583.869	Hydrophilic surface: 73.711

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.