MMsINC Database Search


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

MMsINC code: MMs00355706

Type: Neutral
Formula: C₂₇H₂₃NO

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C27H23NO/c29-27(26-18-16-25(17-19-26)24-14-8-3-9-15-24)28(20-22-10-4-1-5-11-22)21-23-12-6-2-7-13-23/h1-19H,20-21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.21 kcal/mol

Physical Properties
Molecular Weight: 377.487 g/mol	logS: -7.3872	SlogP: 6.729	Reactive groups: 0

Topological Properties
Globularity: 0.0610846	Sterimol/B1: 2.77739	Sterimol/B2: 2.91712	Sterimol/B3: 5.04907
Sterimol/B4: 10.3307	Sterimol/L: 17.0658

Surface and Volume Properties
Accessible surface: 658.76	Positive charged surface: 334.45	Negative charged surface: 313.958	Volume: 390.5
Hydrophobic surface: 621.208	Hydrophilic surface: 37.552

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.