MMsINC Database Search


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MMsINC code: MMs00748750

Type: Neutral
Formula: C₂₄H₂₇FN₂+2

SMILES:

Fc1ccccc1C1[NH+](CCC[NH+]1Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H25FN2/c25-23-15-8-7-14-22(23)24-26(18-20-10-3-1-4-11-20)16-9-17-27(24)19-21-12-5-2-6-13-21/h1-8,10-15,24H,9,16-19H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.0179 kcal/mol

Physical Properties
Molecular Weight: 362.492 g/mol	logS: -5.16756	SlogP: 3.0265	Reactive groups: 0

Topological Properties
Globularity: 0.137767	Sterimol/B1: 2.81881	Sterimol/B2: 4.35462	Sterimol/B3: 5.67365
Sterimol/B4: 7.74748	Sterimol/L: 16.9602

Surface and Volume Properties
Accessible surface: 631.221	Positive charged surface: 388.907	Negative charged surface: 242.315	Volume: 383
Hydrophobic surface: 611.898	Hydrophilic surface: 19.323

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

MMs00748751
CHEMBRIDGE-ZINC02998204