MMsINC Database Search


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MMsINC code: MMs03113077

Type: Neutral
Formula: C₂₄H₃₂FN

SMILES:

Fc1cc(ccc1C1CCC(CC1)CCCCC)-c1ncc(cc1)CC

InChI:

InChI=1/C24H32FN/c1-3-5-6-7-19-8-11-20(12-9-19)22-14-13-21(16-23(22)25)24-15-10-18(4-2)17-26-24/h10,13-17,19-20H,3-9,11-12H2,1-2H3/t19-,20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6986 kcal/mol

Physical Properties
Molecular Weight: 353.525 g/mol	logS: -8.70322	SlogP: 7.30417	Reactive groups: 0

Topological Properties
Globularity: 0.0284265	Sterimol/B1: 2.83765	Sterimol/B2: 2.98172	Sterimol/B3: 4.54015
Sterimol/B4: 5.38432	Sterimol/L: 23.8006

Surface and Volume Properties
Accessible surface: 692.019	Positive charged surface: 485.802	Negative charged surface: 200.257	Volume: 384.125
Hydrophobic surface: 631.621	Hydrophilic surface: 60.398

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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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Ions/Tautomers related molecules: no related molecules available.