MMsINC Database Search


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MMsINC code: MMs00748751

Type: Tautomer
Formula: C₂₄H₂₅FN₂

SMILES:

Fc1ccccc1C1N(CCCN1Cc1ccccc1)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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6561 kcal/mol

Physical Properties
Molecular Weight: 360.476 g/mol	logS: -5.21634	SlogP: 5.8607	Reactive groups: 0

Topological Properties
Globularity: 0.16277	Sterimol/B1: 2.82992	Sterimol/B2: 4.3452	Sterimol/B3: 5.61078
Sterimol/B4: 7.65936	Sterimol/L: 15.9963

Surface and Volume Properties
Accessible surface: 607.479	Positive charged surface: 373.923	Negative charged surface: 233.555	Volume: 368.625
Hydrophobic surface: 598.388	Hydrophilic surface: 9.091

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Parent related molecule:

MMs00748750
CHEMBRIDGE-ZINC02998204