MMsINC Database Search


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

MMsINC code: MMs02353397

Type: Neutral
Formula: C₂₀H₂₄N₂O

SMILES:

O(Cc1ccccc1)c1ccc(cc1)\C=N/N1CCCCCC1

InChI:

InChI=1/C20H24N2O/c1-2-7-15-22(14-6-1)21-16-18-10-12-20(13-11-18)23-17-19-8-4-3-5-9-19/h3-5,8-13,16H,1-2,6-7,14-15,17H2/b21-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.01 kcal/mol

Physical Properties
Molecular Weight: 308.425 g/mol	logS: -4.03283	SlogP: 4.7419	Reactive groups: 0

Topological Properties
Globularity: 0.0741165	Sterimol/B1: 2.74895	Sterimol/B2: 3.52382	Sterimol/B3: 4.31397
Sterimol/B4: 6.91184	Sterimol/L: 16.8413

Surface and Volume Properties
Accessible surface: 586.838	Positive charged surface: 397.2	Negative charged surface: 189.638	Volume: 324.25
Hydrophobic surface: 544.679	Hydrophilic surface: 42.159

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.