MMsINC Database Search


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MMsINC code: MMs00831499

Type: Neutral
Formula: C₁₉H₂₁FN₂O

SMILES:

Fc1ccc(cc1)C(=O)NC1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C19H21FN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7196 kcal/mol

Physical Properties
Molecular Weight: 312.388 g/mol	logS: -4.04416	SlogP: 3.4865	Reactive groups: 0

Topological Properties
Globularity: 0.0824305	Sterimol/B1: 2.46696	Sterimol/B2: 3.23257	Sterimol/B3: 4.56592
Sterimol/B4: 6.53452	Sterimol/L: 17.5931

Surface and Volume Properties
Accessible surface: 575.515	Positive charged surface: 354.576	Negative charged surface: 220.939	Volume: 308
Hydrophobic surface: 533.098	Hydrophilic surface: 42.417

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00831500
CHEMDIV-ZINC00084471