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MMsINC code: MMs02263611

Type: Ionized
Formula: C₂₄H₂₃FN₃O+

SMILES:

Fc1ccc(cc1)-c1nc2c(c3c1cccc3)cccc2C(=O)NCC[NH+](C)C

InChI:

InChI=1/C24H22FN3O/c1-28(2)15-14-26-24(29)21-9-5-8-20-18-6-3-4-7-19(18)22(27-23(20)21)16-10-12-17(25)13-11-16/h3-13H,14-15H2,1-2H3,(H,26,29)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3928 kcal/mol

Physical Properties
Molecular Weight: 388.466 g/mol	logS: -6.56109	SlogP: 3.0684	Reactive groups: 0

Topological Properties
Globularity: 0.059646	Sterimol/B1: 3.54502	Sterimol/B2: 3.79161	Sterimol/B3: 6.27083
Sterimol/B4: 7.9189	Sterimol/L: 17.1382

Surface and Volume Properties
Accessible surface: 668.415	Positive charged surface: 428.428	Negative charged surface: 223.622	Volume: 383.5
Hydrophobic surface: 568.608	Hydrophilic surface: 99.807

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 1
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:

Parent related molecule:

MMs02263610
NCID-ZINC01613480