MMsINC Database Search


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

MMsINC code: MMs01335240

Type: Neutral
Formula: C₁₉H₁₉FN₂O

SMILES:

Fc1ccc(cc1)C=1NOC2(N(c3c(cccc3)C2(C)C)C)C=1

InChI:

InChI=1/C19H19FN2O/c1-18(2)15-6-4-5-7-17(15)22(3)19(18)12-16(21-23-19)13-8-10-14(20)11-9-13/h4-12,21H,1-3H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.058 kcal/mol

Physical Properties
Molecular Weight: 310.372 g/mol	logS: -4.57868	SlogP: 3.8253	Reactive groups: 0

Topological Properties
Globularity: 0.166245	Sterimol/B1: 2.13806	Sterimol/B2: 2.91547	Sterimol/B3: 5.81403
Sterimol/B4: 6.31638	Sterimol/L: 15.0627

Surface and Volume Properties
Accessible surface: 529.65	Positive charged surface: 312.517	Negative charged surface: 217.133	Volume: 299.75
Hydrophobic surface: 462.476	Hydrophilic surface: 67.174

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