MMsINC Database Search


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MMsINC code: MMs01412045

Type: Neutral
Formula: C₂₇H₂₄FNO

SMILES:

Fc1ccccc1COc1ccccc1CNC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C27H24FNO/c28-25-17-9-7-16-24(25)20-30-26-18-10-8-15-23(26)19-29-27(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,27,29H,19-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5169 kcal/mol

Physical Properties
Molecular Weight: 397.493 g/mol	logS: -6.77444	SlogP: 6.9122	Reactive groups: 0

Topological Properties
Globularity: 0.144992	Sterimol/B1: 2.61206	Sterimol/B2: 3.11377	Sterimol/B3: 6.2718
Sterimol/B4: 11.2884	Sterimol/L: 16.6535

Surface and Volume Properties
Accessible surface: 670.221	Positive charged surface: 376.33	Negative charged surface: 293.89	Volume: 406.125
Hydrophobic surface: 658.351	Hydrophilic surface: 11.87

Pharmacophoric Properties
Hydrogen bond donors: 1	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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Ions/Tautomers related molecules

MMs01412046
ENAMINE-ZINC03388246