MMsINC Database Search


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

MMsINC code: MMs02816830

Type: Neutral
Formula: C₂₅H₂₃NO₃

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)Cc1nccc2c1cc(OC)cc2

InChI:

InChI=1/C25H23NO3/c1-27-21-10-9-20-12-13-26-23(22(20)16-21)14-19-8-11-24(25(15-19)28-2)29-17-18-6-4-3-5-7-18/h3-13,15-16H,14,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.398 kcal/mol

Physical Properties
Molecular Weight: 385.463 g/mol	logS: -5.87951	SlogP: 5.68817	Reactive groups: 0

Topological Properties
Globularity: 0.0909731	Sterimol/B1: 2.32273	Sterimol/B2: 3.18183	Sterimol/B3: 5.03676
Sterimol/B4: 10.6199	Sterimol/L: 17.4113

Surface and Volume Properties
Accessible surface: 703.149	Positive charged surface: 482.597	Negative charged surface: 211.314	Volume: 386.75
Hydrophobic surface: 669.463	Hydrophilic surface: 33.686

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.