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MMsINC code: MMs02735539

Type: Neutral
Formula: C₂₁H₂₆FN₃O

SMILES:

Fc1ccc(cc1)CN(C(=O)Cc1ccccc1)CCN1CCNCC1

InChI:

InChI=1/C21H26FN3O/c22-20-8-6-19(7-9-20)17-25(15-14-24-12-10-23-11-13-24)21(26)16-18-4-2-1-3-5-18/h1-9,23H,10-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.488 kcal/mol

Physical Properties
Molecular Weight: 355.457 g/mol	logS: -3.36304	SlogP: 2.56857	Reactive groups: 0

Topological Properties
Globularity: 0.0727046	Sterimol/B1: 2.73889	Sterimol/B2: 2.91158	Sterimol/B3: 4.24115
Sterimol/B4: 11.1368	Sterimol/L: 15.6791

Surface and Volume Properties
Accessible surface: 641.798	Positive charged surface: 428.311	Negative charged surface: 213.487	Volume: 359.25
Hydrophobic surface: 580.467	Hydrophilic surface: 61.331

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules

MMs02735540
PUBCHEM-ZINC00741856